data_1x5q_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 1x5q _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 ' 13' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.2 pt-20 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 1.9 mp0 -38.17 147.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.432 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.1 pt-20 -116.72 166.89 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -84.53 136.25 33.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 1.2 mt -137.0 151.62 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m -126.84 127.85 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -121.08 151.94 39.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m -118.25 120.61 38.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.0 mt -106.09 155.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt -109.91 138.92 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CD1' ' HE3' ' A' ' 99' ' ' MET . 19.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.63 63.05 0.63 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.468 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -144.09 170.44 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -129.89 140.24 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 24.9 pt -115.56 155.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.73 148.92 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.49 -122.51 5.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 137.06 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -53.4 136.54 37.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.96 -45.13 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.06 174.78 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.965 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.429 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 2.8 m -68.36 145.42 97.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 162.07 37.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.444 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 80.6 t80 -90.61 -36.7 14.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -125.93 116.76 22.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.98 -147.59 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -90.53 68.07 6.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.59 104.07 7.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.75 56.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.11 167.65 13.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.11 107.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.1 m-85 -113.24 155.08 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 37.1 mm -68.61 128.87 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.444 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 47.8 t -98.49 -25.22 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -161.42 155.21 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 64' ' ' VAL . 3.8 t -135.03 100.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.4 m -45.91 116.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -52.08 57.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 72.64 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -141.14 -175.89 15.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -34.31 3.93 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 30' ' ' ILE . . . -63.93 -57.85 8.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.63 -40.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -64.43 -50.69 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.33 -39.99 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.12 26.19 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.462 ' CG1' HG21 ' A' ' 53' ' ' VAL . 8.2 p -67.99 147.08 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.12 134.75 45.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.415 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 76.8 t -58.03 139.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.55 -13.53 62.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.67 128.68 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 37.7 tttm -88.17 100.12 12.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 102' ' ' TRP . 4.4 mt -116.84 -41.94 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -141.0 159.08 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.507 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 8.7 t -149.34 105.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.84 11.1 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.56 -22.88 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.0 p -68.64 141.43 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.04 118.46 26.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.449 HD12 ' CG2' ' A' ' 73' ' ' VAL . 28.1 mt -103.57 27.32 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.3 113.7 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.12 46.7 20.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.09 145.32 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 46.8 mt-10 -64.07 155.97 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -43.46 -58.18 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.568 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 7.8 p80 -48.53 -55.55 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.4 mt-10 -46.41 -49.86 17.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.406 ' HB2' ' CD1' ' A' ' 32' ' ' ILE . . . -63.33 -59.22 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.4 t -45.38 -57.37 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -53.56 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.25 -55.23 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.462 ' CD2' ' HE2' ' A' ' 99' ' ' MET . 28.3 mt -49.92 -52.96 29.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -39.21 56.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.64 88.53 1.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 97' ' ' VAL . . . -174.58 135.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.5 36.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 p -38.2 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.76 122.6 23.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 93' ' ' ALA . 75.8 t -120.45 118.89 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -95.76 131.23 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.469 ' HE3' ' CD1' ' A' ' 28' ' ' LEU . 1.2 mtt -130.47 119.96 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -93.3 105.39 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.454 HG13 ' CD2' ' A' ' 70' ' ' LEU . 27.8 m -101.66 164.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.607 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 7.5 t90 -116.61 125.46 51.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 12.8 ttm-85 -156.87 156.24 32.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 1.3 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.597 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -38.58 155.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 5.5 pt-20 -125.01 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -85.9 138.38 32.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -140.11 151.33 45.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -129.74 116.61 19.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.348 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.57 159.45 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -135.66 114.69 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.43 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mt -103.24 156.01 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -105.84 100.17 9.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.51 53.53 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.473 HG21 ' CG2' ' A' ' 53' ' ' VAL . 22.2 pt -137.65 166.27 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.93 143.13 49.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 pt -113.44 156.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.15 112.28 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.54 -151.48 23.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.62 152.22 15.59 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -52.06 135.25 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.09 -56.8 4.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 111.038 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -55.42 160.37 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 61.1 m -67.69 140.46 94.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.02 -174.47 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 2.6 t80 -116.22 -32.31 5.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -104.83 -80.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.98 -151.23 6.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.08 64.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -125.1 118.59 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.84 53.28 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.0 164.82 18.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.1 126.82 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 17.3 m-85 -121.32 162.62 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.8 mm -81.55 126.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -30.86 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -159.31 159.67 34.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG2' HG21 ' A' ' 30' ' ' ILE . 3.5 t -137.17 121.18 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 m -57.78 110.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.64 -51.89 44.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -107.34 42.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.08 -175.8 22.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.46 3.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . -61.45 -58.33 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -76.42 -47.26 23.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -49.17 -39.85 30.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.61 29.92 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.433 ' CG1' HG22 ' A' ' 53' ' ' VAL . 9.2 p -80.63 157.1 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.95 136.31 30.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.4 140.61 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.38 78.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 131.99 52.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.1 tttm -92.89 97.61 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -55.49 126.45 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 8.9 mt -106.67 -41.13 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.9 mt-10 -145.69 160.7 41.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 2.7 t -147.71 99.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.16 9.99 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.57 -22.91 14.23 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 7.2 p -71.54 135.48 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.8 120.5 25.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' A' ' 73' ' ' VAL . 18.7 mt -97.18 -11.13 24.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.6 mt-30 -38.77 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.34 53.13 3.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.37 143.66 49.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 40.7 mt-10 -73.09 176.53 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.96 -52.35 65.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 9.2 p80 -53.31 -47.58 69.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.479 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 6.3 mt-10 -51.63 -40.04 59.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.05 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.6 t -50.28 -56.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -52.91 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.28 -59.03 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.4 mt -48.28 -48.33 35.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -55.17 -48.46 73.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.49 91.47 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -169.41 131.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.58 -167.58 14.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 22.7 m -41.19 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.5 106.57 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.8 t -100.97 108.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 124.57 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.7 mtm -130.43 115.14 16.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -89.0 106.65 18.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.3 m -102.0 169.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.597 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 6.6 t90 -126.75 123.97 38.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 108.03 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.471 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 35.4 ttm-85 -156.48 157.71 35.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.608 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 19.3 mt-10 -38.77 146.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' CG ' HD23 ' A' ' 17' ' ' LEU . 5.4 pt-20 -117.26 166.86 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.59 135.42 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 103' ' ' ARG . 2.7 mt -131.01 155.14 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 m -127.86 128.75 45.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 mt -128.69 150.75 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -124.6 135.0 52.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.5 mt -118.53 152.14 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -98.49 113.61 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.495 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.4 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.93 61.52 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -141.04 161.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -118.18 134.91 54.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.3 163.72 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.5 165.94 34.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.01 -118.79 5.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.74 132.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -42.06 131.34 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.33 48.66 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.01 165.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.059 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 3.0 m -67.15 143.75 97.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.97 165.83 30.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -96.23 -35.36 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -84.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.19 -138.89 4.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.59 67.33 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -142.25 118.4 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.05 46.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.65 169.07 16.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.5 mm -94.31 116.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 11.9 m-85 -122.15 152.1 40.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 28.1 mm -68.84 132.92 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -103.89 -33.55 8.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.61 145.2 19.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -127.37 108.5 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 m -53.4 109.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -48.87 64.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -98.32 42.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.81 -178.47 18.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.471 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.01 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -55.42 -57.35 12.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.96 -49.69 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -50.99 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.28 19.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.14 28.39 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.77 152.74 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.401 ' NH1' ' NH1' ' A' ' 103' ' ' ARG . 73.7 mtt180 -133.73 144.15 48.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 48.1 t -67.96 138.61 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.41 ' N ' HG11 ' A' ' 66' ' ' VAL . . . 94.5 1.25 64.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.46 124.12 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 16.4 tttm -85.16 95.63 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.477 ' CD1' ' CG2' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -54.57 140.97 33.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 102' ' ' TRP . 6.6 mt -120.95 -42.01 2.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.5 tm-20 -149.43 145.91 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' CD1' ' A' ' 70' ' ' LEU . 20.9 t -137.56 112.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.483 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 78.19 3.61 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.7 -22.5 14.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.2 p -73.18 132.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.43 117.46 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.8 mt -105.48 36.96 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.81 108.43 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.81 29.72 70.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.29 151.67 19.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.42 168.48 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -54.74 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.617 ' CD2' ' N ' ' A' ' 85' ' ' GLU . 6.6 p-80 -47.51 -49.36 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.617 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 3.1 mt-10 -49.16 -44.56 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.08 -59.89 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.8 t -47.6 -57.97 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -55.56 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.28 -63.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.2 mt -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -53.98 -51.1 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.96 83.01 0.84 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.483 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -168.91 135.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.19 -161.49 34.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.495 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.9 m -39.91 -81.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.29 107.69 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 93' ' ' ALA . 56.1 t -107.19 107.63 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -77.15 126.04 30.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.2 mtm -127.1 115.4 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 1.9 ttt180 -94.73 104.89 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.63 164.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.608 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 4.6 t90 -115.91 129.17 56.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.481 ' CB ' HD11 ' A' ' 17' ' ' LEU . 18.0 ttp85 -157.28 152.84 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.5 pt-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.619 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 17.7 mt-10 -37.17 145.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.421 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 7.5 pt-20 -114.31 166.98 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.2 140.6 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -136.04 163.19 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -134.55 111.73 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD23 ' CA ' ' A' ' 64' ' ' VAL . 4.8 tp -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 m -134.88 133.74 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 11.2 mt -125.77 152.12 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -106.22 133.1 51.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.498 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.71 68.24 0.4 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CD1' ' CE ' ' A' ' 99' ' ' MET . 1.6 pt -146.33 166.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 m -121.47 136.38 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 pt -114.09 163.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.14 130.1 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.05 -150.75 18.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' CA ' HD13 ' A' ' 48' ' ' ILE . . . 128.35 -160.78 22.12 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 37' ' ' GLY . 16.0 ttmm -73.31 -107.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -71.92 57.75 1.39 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t -138.84 170.96 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 7.8 m -70.72 135.23 85.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.3 Cg_endo -75.0 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.416 ' CE2' ' HA ' ' A' ' 51' ' ' SER . 50.3 t80 -110.6 -27.75 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.03 -71.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -147.43 -146.61 4.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -71.66 74.56 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -146.24 112.21 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.81 55.2 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.05 -177.51 17.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.453 HD13 ' CA ' ' A' ' 35' ' ' GLY . 9.2 mm -114.47 119.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.8 m-85 -122.05 157.35 31.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.404 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 24.2 mm -70.72 135.68 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.416 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -101.34 -40.08 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.84 154.44 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.437 HG23 ' CG1' ' A' ' 64' ' ' VAL . 5.1 t -131.28 97.28 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 m -49.65 107.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.91 -37.68 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.62 37.79 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.81 179.98 16.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.96 -33.44 4.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.63 -54.1 49.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.98 -47.83 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -50.8 70.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.95 -41.48 46.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.45 26.21 4.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.462 ' CA ' HD23 ' A' ' 19' ' ' LEU . 9.4 p -69.15 147.74 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -123.28 145.57 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 49.0 t -70.17 141.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.38 7.22 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 124.9 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.55 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.1 tttm -83.37 106.53 15.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -64.14 134.71 55.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 102' ' ' TRP . 7.9 mt -115.61 -41.91 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.54 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 10.9 t -148.16 103.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.31 10.79 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.74 -22.12 15.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.2 p -69.54 136.79 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.48 117.48 23.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 73' ' ' VAL . 28.4 mt -102.87 34.69 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -90.51 103.55 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.23 46.61 56.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.07 141.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 43.0 mt-10 -65.89 155.14 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -40.0 -56.02 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.3 p80 -52.05 -54.61 28.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 4.2 mt-10 -47.25 -48.33 24.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -57.37 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.4 t -47.41 -54.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.16 -51.81 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.67 -55.9 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.28 -51.78 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -52.74 -35.43 56.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.56 82.33 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 97' ' ' VAL . . . -170.95 161.29 6.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.446 ' O ' ' CG2' ' A' ' 97' ' ' VAL . . . -120.0 -157.91 10.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.498 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -38.35 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.409 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -72.75 109.51 6.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 94' ' ' GLY . 53.7 t -110.04 111.82 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.54 128.7 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.461 ' CE ' ' CD1' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -129.46 115.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -89.29 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.404 HG13 ' CD2' ' A' ' 70' ' ' LEU . 27.7 m -102.03 162.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.619 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 10.2 t90 -114.86 125.67 53.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 108.039 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.454 ' CB ' HD12 ' A' ' 17' ' ' LEU . 2.3 ttm-85 -157.11 154.75 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 102' ' ' TRP . 5.7 mt-10 -51.02 159.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 7.6 pt-20 -114.81 164.72 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.59 139.76 32.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -136.33 156.01 49.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -134.8 117.65 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.26 158.12 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 m -133.4 104.74 6.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.5 mt -93.96 155.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.76 138.42 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' THR . 1.3 ttt-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.82 64.78 0.47 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.469 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.2 pp -143.76 176.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 17.7 m -140.46 155.08 46.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.6 164.55 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 51' ' ' SER . . . -166.35 118.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.87 -153.54 20.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.415 ' N ' HD11 ' A' ' 48' ' ' ILE . . . 109.73 147.62 11.88 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -40.33 130.66 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.04 -55.28 3.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -65.03 158.47 25.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 2.7 m -66.6 146.32 99.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.3 -35.68 76.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.12 141.74 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.87 164.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.52 73.65 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -144.49 115.2 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -78.82 54.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.38 165.3 12.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 35' ' ' GLY . 21.9 mm -90.59 109.67 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 6.0 m-85 -113.2 156.19 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.3 mm -69.26 139.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.451 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 23.8 t -107.03 -22.19 12.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' N ' ' HB2' ' A' ' 31' ' ' SER . 3.5 ttt85 -163.55 150.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.72 103.03 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 m -49.82 107.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -52.95 -54.41 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -94.17 50.25 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.64 179.43 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' CB ' HG23 ' A' ' 30' ' ' ILE . . . -63.79 -60.04 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -34.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.73 -48.41 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -49.15 -40.47 32.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.71 30.76 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 30' ' ' ILE . 9.8 p -81.98 150.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -140.63 137.62 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 67.2 t -58.88 137.57 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.65 -5.6 76.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 123.17 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . 31.0 tttm -81.25 95.52 6.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -57.13 146.13 28.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 7.5 mt -123.85 -40.81 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.1 tm-20 -151.03 148.96 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.424 ' CG2' HD12 ' A' ' 70' ' ' LEU . 71.8 t -138.83 114.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 76.2 3.8 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.41 16.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.8 p -73.88 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.79 110.62 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.5 35.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -85.46 115.33 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.97 44.23 92.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.1 145.96 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.68 158.59 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -45.87 -55.83 6.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.5 p80 -51.74 -52.92 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 5.2 mt-10 -47.61 -42.97 25.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.52 -61.74 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.4 t -45.05 -59.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -57.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.75 -57.69 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -45.1 -54.99 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -51.51 -38.58 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.27 81.01 1.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.465 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -161.66 134.6 6.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.32 -162.81 37.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' ARG . 3.3 p -43.36 -50.37 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.45 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 93' ' ' ALA . 53.6 t -111.35 113.4 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -95.87 127.35 41.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.457 ' HE2' ' CD1' ' A' ' 30' ' ' ILE . 1.3 mtm -125.99 114.48 18.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.5 ttt180 -93.11 104.43 16.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.2 m -107.03 159.37 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 14' ' ' GLU . 13.6 t90 -110.55 125.88 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CB ' HD11 ' A' ' 17' ' ' LEU . 1.7 ttm-85 -155.97 156.54 34.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.409 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.591 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 4.4 mt-10 -39.16 156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 6.5 pt-20 -122.06 168.75 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -88.94 134.23 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -133.67 153.0 52.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 m -124.18 135.84 53.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -132.31 153.32 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.4 m -126.55 121.05 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 6.2 mt -105.32 153.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -102.84 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 4.5 ttt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.24 50.38 0.59 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.45 149.5 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 137.17 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.6 pt -106.78 161.12 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.28 -113.87 3.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.81 140.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -50.66 134.48 24.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.68 -57.18 0.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.95 168.52 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.8 146.42 99.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 158.85 41.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -91.87 -29.35 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.84 132.31 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.42 -150.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -96.72 62.28 1.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.77 115.61 20.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.61 49.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.43 165.75 16.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.9 mm -94.48 107.96 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 7.0 m-85 -109.65 164.11 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.6 mm -83.31 121.3 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -48.22 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.51 155.45 46.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 HG11 ' CG1' ' A' ' 64' ' ' VAL . 15.4 t -133.26 106.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.9 m -52.15 110.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -53.84 17.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.41 83.62 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.02 -174.77 28.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.93 -38.46 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.79 -67.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.03 -20.88 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 10.2 ttt85 -83.34 -10.01 58.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.3 -29.69 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.55 31.71 1.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.46 ' CG1' HG11 ' A' ' 53' ' ' VAL . 6.0 p -76.83 157.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -141.83 135.39 29.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 67' ' ' GLY . 53.2 t -59.74 137.73 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' N ' HG11 ' A' ' 66' ' ' VAL . . . 97.21 -11.77 65.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -53.6 128.06 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 33.5 tttm -94.0 94.85 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 73' ' ' VAL . 5.6 tp -50.15 147.12 4.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 102' ' ' TRP . 17.2 mt -127.18 -41.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.18 166.35 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.524 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 3.1 t -152.69 98.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.413 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 0.4 OUTLIER 70.34 10.46 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.59 21.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.9 p -79.29 128.5 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.71 115.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.43 ' CD1' ' CG2' ' A' ' 73' ' ' VAL . 38.2 mt -105.66 41.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.91 100.52 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.17 28.28 53.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.88 146.58 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 3.6 mt-10 -64.64 158.79 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.38 -58.52 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.562 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 14.9 p80 -44.26 -54.92 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.2 mt-10 -48.46 -49.66 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.17 -58.47 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.47 HG11 ' CD ' ' A' ' 91' ' ' ARG . 39.1 t -45.46 -58.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -50.48 57.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.05 -43.76 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 50.1 mt -68.32 -48.76 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.47 ' CD ' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -52.22 -42.12 63.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -86.22 85.14 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.413 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -173.05 133.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 0.801 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.41 -163.73 29.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 3.5 m -38.86 -82.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 110.35 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.08 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.51 128.06 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 7.1 mtm -133.64 120.74 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LEU . 1.4 ttt85 -92.84 105.72 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.0 m -102.16 152.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.591 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 4.2 t90 -104.4 127.76 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.401 ' CD ' ' OD1' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -156.36 157.64 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.42 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 2.1 tt0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.1 pt-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 9.0 mp0 -38.19 149.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 5.7 pt-20 -120.5 167.44 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.04 139.34 31.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -137.94 154.49 49.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -127.12 105.63 8.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -93.51 163.05 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 m -135.51 123.9 23.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.82 151.65 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mt -103.65 138.33 40.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.2 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.27 57.67 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.481 HG21 ' CB ' ' A' ' 59' ' ' ALA . 1.3 pp -134.09 161.64 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.75 152.31 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 pt -114.82 156.26 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -155.9 121.15 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.71 -131.47 5.77 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.11 138.9 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -45.06 136.27 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.74 -58.7 1.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -70.11 168.26 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.421 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 3.3 m -66.79 144.87 98.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.95 146.31 32.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.784 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD2' ' HG3' ' A' ' 42' ' ' LYS . 88.4 t80 -77.71 -38.11 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 4.3 mtpt -127.0 120.76 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.1 -153.64 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -85.64 69.25 10.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.11 108.72 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.3 54.19 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.18 162.72 14.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.7 mm -90.07 112.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.5 m-85 -115.8 155.04 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.54 130.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.82 -43.15 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.38 158.39 43.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.444 ' CG2' HG22 ' A' ' 30' ' ' ILE . 2.3 t -135.73 100.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -46.09 139.56 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.01 -48.68 34.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 4.9 pt-20 -101.06 51.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.55 175.92 16.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.17 6.44 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.481 ' CB ' HG21 ' A' ' 30' ' ' ILE . . . -64.54 -56.36 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.99 -42.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -65.38 -46.79 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -52.05 -42.24 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.47 29.86 2.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.402 HG13 ' CG2' ' A' ' 30' ' ' ILE . 7.1 p -75.79 158.46 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.402 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.2 mpt_? -141.52 141.16 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 67' ' ' GLY . 70.7 t -61.15 142.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.425 ' N ' HG13 ' A' ' 66' ' ' VAL . . . 96.44 -19.04 56.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' OD1' ' NE ' ' A' ' 103' ' ' ARG . 8.7 m-20 -48.45 119.03 2.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 26.1 tttm -79.22 96.26 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.58 136.66 57.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 9.1 mt -116.5 -40.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -151.36 146.57 26.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.46 ' CG2' HD12 ' A' ' 70' ' ' LEU . 71.5 t -134.59 114.35 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.513 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.6 OUTLIER 77.54 3.51 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.85 -21.97 15.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.428 ' CG1' ' HB2' ' A' ' 89' ' ' ALA . 7.9 p -73.74 131.26 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.97 117.06 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.77 30.84 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -72.34 106.18 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.24 43.34 99.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.26 150.45 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.45 163.12 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -50.28 -60.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.545 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 9.7 p80 -46.38 -53.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.545 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.6 mt-10 -45.77 -47.12 15.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.68 -61.67 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.3 t -43.5 -60.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -57.45 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB2' ' CG1' ' A' ' 76' ' ' VAL . . . -48.57 -61.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -41.27 -54.75 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -50.6 -44.54 57.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.96 91.05 1.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.513 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -166.11 132.03 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.2 -164.8 18.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 p -39.2 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.451 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.47 109.88 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.0 114.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -89.11 130.68 35.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.9 mtm -131.39 116.15 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -88.4 104.64 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.5 m -102.61 162.25 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.607 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 9.0 t90 -116.62 125.11 51.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 107.964 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.467 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -157.18 158.51 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 10.5 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.2 pt-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.609 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 7.6 mp0 -38.18 150.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.422 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.8 pt-20 -121.72 165.33 15.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.87 137.74 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -136.19 155.99 49.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 m -134.38 116.05 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.29 161.12 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -135.53 105.9 6.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG1' ' CB ' ' A' ' 62' ' ' ALA . 3.7 mt -98.61 155.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.39 118.69 37.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' CG ' HG23 ' A' ' 97' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.31 58.56 0.39 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.466 HG23 ' CG2' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -135.46 160.56 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.29 135.59 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.0 pt -105.34 152.57 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.54 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.7 -134.16 6.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . 89.48 146.36 13.92 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 6.9 ttpt -49.77 161.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 0.725 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . 48.15 51.36 20.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.68 173.59 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.431 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 2.4 m -73.71 145.69 84.75 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.97 179.35 6.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -117.61 -33.92 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.06 -69.5 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.8 -176.76 14.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 78.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.47 132.3 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.4 49.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.64 162.69 12.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.446 HD11 ' CA ' ' A' ' 35' ' ' GLY . 5.5 mm -98.87 114.55 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.51 151.87 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.445 HG22 ' CG2' ' A' ' 53' ' ' VAL . 10.2 mm -73.7 129.46 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.61 -44.1 8.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -145.94 150.97 37.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 30' ' ' ILE . 14.4 t -136.83 109.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -63.93 108.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.32 -27.98 62.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -103.47 27.92 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.82 179.46 19.64 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.415 ' CB ' HG21 ' A' ' 30' ' ' ILE . . . -65.06 -57.1 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.83 -38.46 7.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -67.68 -50.58 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.469 ' CB ' ' CG1' ' A' ' 21' ' ' ILE . . . -47.86 -36.39 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.67 29.71 2.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.413 ' CG1' HG23 ' A' ' 53' ' ' VAL . 4.1 p -78.1 157.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.1 140.12 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 52.9 t -63.8 136.12 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.68 -12.19 67.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.29 132.82 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -93.28 100.07 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 HD21 ' CG2' ' A' ' 73' ' ' VAL . 5.3 tp -55.44 143.16 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 9.0 mt -123.87 -40.68 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.43 166.27 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.511 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 2.8 t -150.98 99.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 73.32 6.65 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.15 -10.24 22.59 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 8.7 p -83.71 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.1 115.55 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.448 HD11 ' CG2' ' A' ' 73' ' ' VAL . 21.7 mt -99.63 -16.95 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -36.18 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.14 43.38 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.82 155.17 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.47 ' CG ' ' HE3' ' A' ' 36' ' ' LYS . 22.9 mt-10 -81.18 166.12 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -52.13 -52.21 53.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.537 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 13.4 p80 -53.71 -50.35 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.537 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 7.0 mt-10 -50.18 -47.75 54.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.79 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.16 -56.79 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -54.76 27.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -44.87 -51.48 9.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 mt -52.32 -51.96 55.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.41 -52.0 63.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.32 85.31 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -165.68 131.2 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.3 -170.31 0.74 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 67.2 m -43.12 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.61 113.23 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.401 HG23 ' CG ' ' A' ' 23' ' ' ARG . 48.3 t -95.17 106.58 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -84.46 125.79 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.6 mtm -129.58 121.18 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -95.11 104.56 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.46 157.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 6.4 t90 -111.87 126.36 55.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.028 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.471 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 17.4 ttm-85 -157.2 155.21 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.612 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.91 157.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 8.2 pt-20 -122.83 165.61 16.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.46 139.13 32.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -136.8 163.18 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -134.96 112.03 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 9.3 tp -100.15 160.63 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -134.87 121.34 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.6 mt -112.87 152.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.66 139.87 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.09 68.82 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 59' ' ' ALA . 8.9 pt -146.0 169.07 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.2 m -124.11 149.46 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 pt -122.17 166.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.69 127.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.59 -132.49 7.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' CA ' HD13 ' A' ' 48' ' ' ILE . . . 90.98 150.95 25.8 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -44.38 148.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.98 55.79 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.13 168.73 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.933 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.418 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 8.7 m -73.8 143.76 81.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.06 153.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 89.2 t80 -88.7 -32.13 18.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -123.89 -78.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -118.53 -178.82 17.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -64.62 78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.2 m-20 -137.22 116.48 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.48 54.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.51 175.89 18.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.407 HD13 ' CA ' ' A' ' 35' ' ' GLY . 17.6 mm -99.88 125.06 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -120.54 151.78 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.46 HG23 ' CG2' ' A' ' 53' ' ' VAL . 30.3 mm -68.53 124.63 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.573 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 30.6 t -92.43 -37.0 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -154.43 152.7 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 50' ' ' ILE . 3.3 t -137.47 95.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -51.0 108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.01 -21.51 31.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.39 28.65 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.62 -178.29 19.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.06 2.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.476 ' CB ' HG22 ' A' ' 30' ' ' ILE . . . -57.89 -53.65 55.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.44 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.34 35.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.51 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.93 3.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.467 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 4.6 p -82.42 154.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -135.68 139.5 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.31 144.84 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.33 -22.83 38.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 134.63 24.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 46.4 tttm -95.89 101.76 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.476 HD22 ' CG2' ' A' ' 73' ' ' VAL . 7.0 tp -56.59 147.15 23.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 11.8 mt -127.45 -42.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -139.89 170.49 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.52 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 6.6 t -152.82 100.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.51 10.92 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.66 -16.84 21.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.4 p -74.86 132.99 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.17 116.41 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 73' ' ' VAL . 23.5 mt -99.14 -4.21 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -76.26 91.9 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.31 -32.08 3.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.02 160.75 28.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.519 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 37.6 mt-10 -80.69 -177.1 6.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -61.53 -55.44 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.623 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 6.6 p80 -50.93 -49.52 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -49.35 -42.75 42.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -60.43 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.7 t -40.35 -59.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.94 -60.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . . . -43.05 -58.67 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -44.6 -55.92 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -50.45 -51.87 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.73 87.75 0.74 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -174.69 128.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.16 -166.78 2.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -40.75 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.384 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.87 118.18 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.4 t -111.56 112.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -89.15 123.04 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.461 ' CE ' HD11 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -125.01 127.02 46.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -97.38 104.41 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.74 154.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.612 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 6.8 t90 -106.8 125.98 51.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.435 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -156.59 157.44 35.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.599 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 6.3 mt-10 -37.82 154.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.424 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.2 pt-20 -121.91 167.37 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.8 140.95 31.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.76 161.18 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -134.72 106.07 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 6.9 tp -92.97 161.0 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 m -135.73 134.77 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.3 mt -128.62 152.79 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.5 116.12 31.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.6 ttp85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -136.64 55.47 0.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.52 175.3 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -128.5 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.8 pt -132.71 158.17 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -144.13 163.86 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.36 -116.3 4.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . 61.06 127.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' GLY . 23.3 ttpt -40.27 108.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 45.91 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.9 167.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -69.88 141.0 89.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.88 40.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -93.76 -32.64 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -135.1 127.6 30.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.78 -149.2 1.12 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.17 64.75 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.26 124.29 40.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 50.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.16 165.82 17.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 mm -96.12 112.13 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -116.18 153.92 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 11.0 mm -68.91 127.01 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.32 -30.2 12.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' HB2' ' A' ' 31' ' ' SER . 1.8 ttm180 -152.79 155.65 37.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.8 t -138.2 95.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 m -45.58 107.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -44.99 67.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.96 36.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.12 179.37 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.62 3.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.01 -56.41 22.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.25 -45.66 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -48.81 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.3 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.67 31.56 2.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.465 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 9.9 p -77.34 156.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -139.46 133.74 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 80.6 t -59.37 141.32 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 -6.36 60.51 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.411 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -68.32 133.59 48.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 39.4 tttm -91.2 106.81 18.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -65.12 133.48 51.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 102' ' ' TRP . 4.5 mt -114.62 -40.64 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -143.85 159.3 42.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 2.8 t -150.45 99.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.481 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER 75.99 8.71 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.62 -20.91 17.46 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 7.1 p -74.19 131.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.12 118.29 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.472 ' CD1' HG21 ' A' ' 73' ' ' VAL . 23.2 mt -96.57 31.78 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -92.98 115.53 28.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.91 33.65 87.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.29 140.06 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 33.8 mt-10 -63.97 161.76 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -48.22 -55.39 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.548 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.8 p80 -50.69 -51.96 44.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.548 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 2.5 mt-10 -48.48 -50.46 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.86 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.73 -53.28 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -53.52 10.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' A' ' 76' ' ' VAL . . . -57.74 -45.82 85.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.54 -45.63 84.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -18.18 60.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -105.24 93.54 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.481 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -179.19 134.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.1 -162.89 3.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.455 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.2 m -46.5 -81.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 105.07 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.8 t -101.25 109.46 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -89.17 125.67 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.07 115.41 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -88.03 104.81 17.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.94 164.96 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.599 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 10.9 t90 -117.78 124.64 48.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.411 ' CD ' ' OD1' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -156.73 160.44 39.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.422 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.608 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 89.7 mt-10 -45.08 156.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 6.7 pt-20 -112.86 170.27 8.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.76 145.05 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -143.99 158.86 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 m -135.18 115.39 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.95 160.67 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -135.5 119.74 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CD1' ' HE1' ' A' ' 99' ' ' MET . 5.0 mt -108.12 152.32 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -108.24 109.75 21.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.2 ttt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.07 56.84 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pp -142.73 155.78 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 136.87 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 pt -101.93 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -140.63 111.49 7.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -161.15 23.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' HD11 ' A' ' 48' ' ' ILE . . . 125.91 148.35 7.14 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -40.56 136.08 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 0.795 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 -54.57 4.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.69 170.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 2.6 m -73.22 146.42 86.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.95 155.31 43.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.45 -33.98 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 5.0 tttt -86.84 -78.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.16 -91.26 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.42 28.44 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.92 118.97 38.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -87.76 44.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.99 167.05 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.408 HD11 ' N ' ' A' ' 35' ' ' GLY . 22.4 mm -95.58 106.7 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 41.1 m-85 -112.33 154.54 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CG1' ' HB2' ' A' ' 68' ' ' ASP . 45.7 mm -73.44 130.01 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 33' ' ' ALA . 59.6 p -100.62 -32.37 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.59 147.93 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.419 HG22 ' CG1' ' A' ' 64' ' ' VAL . 9.5 t -135.2 109.14 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 m -46.07 109.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.79 -49.82 57.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.31 35.1 2.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.71 178.41 28.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.17 6.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . -59.25 -60.7 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.58 -41.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -63.27 -48.59 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -50.16 -38.09 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.01 29.69 1.94 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.419 ' CG1' HG22 ' A' ' 53' ' ' VAL . 4.8 p -81.97 158.78 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -142.37 155.39 45.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.34 120.07 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.86 8.64 34.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.474 ' HB2' ' CG1' ' A' ' 50' ' ' ILE . 7.9 m-20 -71.24 126.99 31.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.0 tttt -85.72 97.35 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -60.78 127.15 30.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 3.9 mt -108.31 -39.69 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -147.21 160.3 42.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.521 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 2.2 t -148.05 107.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 m120 66.76 9.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.47 -19.35 19.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.5 p -71.43 139.27 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.75 119.27 25.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 73' ' ' VAL . 25.3 mt -104.18 33.18 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.32 115.52 28.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.75 33.88 63.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.42 144.27 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 2.4 mm-40 -64.12 155.09 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -43.83 -58.12 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 10.1 p80 -47.2 -54.98 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 2.5 mt-10 -47.68 -49.6 27.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.79 -56.8 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.407 HG12 ' CD ' ' A' ' 91' ' ' ARG . 56.1 t -48.08 -57.28 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -53.31 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.68 -54.67 7.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -51.3 -52.3 46.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.407 ' CD ' HG12 ' A' ' 87' ' ' VAL . 0.3 OUTLIER -51.72 -44.93 63.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.55 85.64 1.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.445 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -168.59 136.09 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -81.06 -155.4 12.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 34.0 m -53.22 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.26 102.91 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.7 t -97.96 121.59 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -99.12 127.88 45.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.453 ' HE1' ' CD1' ' A' ' 21' ' ' ILE . 4.0 mtm -130.6 115.62 16.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -88.57 105.86 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 26.8 m -102.18 169.63 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.608 ' CE3' ' OE1' ' A' ' 14' ' ' GLU . 11.0 t90 -125.15 125.33 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 107.971 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.473 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 5.3 mtp-105 -155.49 157.84 37.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.442 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.615 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -37.77 155.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 5.2 pt-20 -122.31 168.51 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -87.77 132.61 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 4.4 mt -135.33 160.58 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -126.79 141.73 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.7 mt -132.81 161.08 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 m -135.2 134.3 39.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.473 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 9.9 mt -122.51 153.68 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.58 120.39 40.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.86 61.12 0.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.09 162.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -119.89 142.73 48.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.0 pt -114.41 164.89 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.23 136.92 3.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.87 -107.69 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.61 -129.13 10.84 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -129.15 136.88 50.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.65 -57.58 3.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.47 168.27 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.446 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 5.2 m -71.22 144.84 90.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.98 141.98 27.37 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.85 -31.95 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -163.24 131.74 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.6 165.89 0.55 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -73.97 73.31 1.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -141.37 107.22 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -75.53 56.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.22 170.92 14.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mm -96.77 112.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 5.3 m-85 -116.94 151.4 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.5 mm -68.77 126.5 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -94.5 -35.58 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -154.66 151.15 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.4 HG21 ' CG1' ' A' ' 64' ' ' VAL . 8.8 t -128.74 105.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 m -45.79 106.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -55.79 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -108.28 66.84 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.54 -173.49 13.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.468 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -34.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.47 ' CB ' HG13 ' A' ' 64' ' ' VAL . . . -63.85 -57.32 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.52 -42.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -63.7 -48.46 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -51.6 -37.1 48.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.57 32.52 2.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.47 HG13 ' CB ' ' A' ' 59' ' ' ALA . 9.8 p -81.27 151.44 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.422 ' HB2' ' NH2' ' A' ' 103' ' ' ARG . 98.1 mtt180 -141.45 132.8 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -51.75 138.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.47 -25.63 22.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.79 139.3 21.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 44.3 tttm -104.04 94.17 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.492 HD21 ' CG2' ' A' ' 73' ' ' VAL . 2.3 tt -51.33 149.53 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 100' ' ' ARG . 9.2 mt -131.53 -42.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.417 ' O ' HD21 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -137.06 154.61 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.492 ' CG2' HD21 ' A' ' 70' ' ' LEU . 2.0 t -144.71 101.29 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.28 6.44 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.19 -19.42 17.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 7.8 p -73.52 129.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.353 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.76 119.89 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.7 mt -113.6 45.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.36 105.08 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.77 34.71 88.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.7 167.56 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.45 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 5.5 mm-40 -75.83 149.59 37.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -50.72 -36.72 37.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 85' ' ' GLU . 6.5 p-80 -65.33 -44.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.597 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.527 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 4.0 mt-10 -58.91 -43.9 91.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.26 -55.81 24.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.75 -56.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -53.79 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.73 -53.78 35.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -50.61 -54.79 20.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -49.7 -43.13 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.98 91.58 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . . . -169.88 133.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -81.45 -161.61 27.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.475 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 m -44.66 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.29 106.12 5.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 93' ' ' ALA . 76.5 t -101.9 116.15 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -95.08 136.01 35.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.473 ' HE2' ' CD1' ' A' ' 21' ' ' ILE . 67.6 mtm -142.08 121.66 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' LEU . 4.6 ttt180 -88.2 107.04 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.5 m -101.08 151.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.615 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 4.8 t90 -104.43 124.42 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 23.8 ttm180 -156.89 149.42 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 103' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.592 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 20.7 mt-10 -39.18 148.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 7.8 pt-20 -116.58 165.58 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 1.1 mp0 -86.05 139.74 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 1.9 mt -134.36 154.05 51.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -127.37 113.36 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.48 150.93 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -127.6 110.06 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' VAL . 4.6 mt -98.44 158.99 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -110.39 130.45 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.499 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 5.2 ttt-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.9 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.75 54.16 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.1 pp -146.62 156.08 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 t -117.44 145.76 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.8 157.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -155.1 150.24 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.55 -138.26 13.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' HD12 ' A' ' 48' ' ' ILE . . . 115.5 -125.92 6.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -131.58 130.14 41.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.69 -55.52 4.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 173.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 32.5 m -68.59 135.84 90.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.2 Cg_endo -75.01 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -96.05 -34.05 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -103.61 -79.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -140.05 -144.85 4.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -75.54 71.8 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.03 110.13 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 56.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.83 159.29 14.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 35' ' ' GLY . 21.0 mm -92.51 127.37 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.9 m-85 -130.06 156.85 43.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.2 mm -69.12 132.78 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 t -101.43 -33.96 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.12 153.38 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.447 HG22 ' CG1' ' A' ' 64' ' ' VAL . 3.1 t -137.85 107.19 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -54.96 133.61 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -53.79 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.33 55.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.13 179.42 16.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.96 -40.98 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.473 ' CB ' HG23 ' A' ' 30' ' ' ILE . . . -54.11 -57.88 9.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.58 -49.54 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -54.76 -53.64 52.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.53 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.32 32.83 5.08 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.11 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.447 ' CG1' HG22 ' A' ' 53' ' ' VAL . 8.5 p -76.57 156.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.07 134.87 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.26 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 67' ' ' GLY . 72.9 t -57.01 142.36 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 94.08 -4.25 70.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.38 127.01 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.321 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 14.0 tttm -84.79 100.61 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD13 ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -63.13 142.53 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 4.9 mt -123.49 -42.99 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -147.02 148.75 32.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 21.2 t -137.38 113.46 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER 77.48 3.6 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.322 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -21.83 14.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.95 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.68 117.64 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.9 mt -107.31 35.25 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -54.77 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.58 45.74 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.81 151.3 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 28.0 mt-10 -79.96 174.84 11.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -54.38 -60.02 3.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.543 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 6.8 p80 -48.7 -52.87 21.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.58 -42.87 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.09 -58.22 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.14 -57.27 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.72 -56.54 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.21 -56.55 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -46.77 -55.05 8.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -49.81 -45.12 49.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.25 65.48 3.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB3' ' ND2' ' A' ' 74' ' ' ASN . . . -147.04 122.45 10.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.76 -162.12 2.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.43 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 15.1 p -47.66 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 107.23 3.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ILE . 49.5 t -101.01 143.82 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' ASN . 26.5 tt0 -120.85 138.96 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.3 mtm -139.07 124.75 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' LEU . 20.2 ttt180 -100.67 104.48 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -105.45 153.98 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.592 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 18.8 t90 -105.77 123.79 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 11.1 ttm-85 -156.84 159.59 38.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 18.7 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.622 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 8.1 mt-10 -38.8 153.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CG ' HD22 ' A' ' 17' ' ' LEU . 7.7 pt-20 -121.33 165.29 15.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.95 136.7 33.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -134.44 165.9 24.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -134.5 108.88 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tp -96.01 160.07 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 6.9 m -136.25 134.58 38.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.421 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 10.3 mt -128.06 152.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -99.88 111.05 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.57 57.47 0.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.445 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 1.1 pt -143.19 139.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.52 139.15 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -113.1 157.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -154.45 130.77 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.78 -150.25 17.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.95 160.09 16.66 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -62.11 145.33 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -59.84 4.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 170.8 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 0.9 OUTLIER -67.14 142.17 96.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.394 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.97 156.26 43.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 49' ' ' PHE . 85.8 t80 -88.15 -33.4 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.78 115.38 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.0 -166.21 0.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.26 73.6 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.41 113.93 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -79.56 54.11 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.89 167.37 12.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.0 mm -101.13 117.3 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.514 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 7.2 m-85 -114.69 154.42 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.5 ' CG1' ' OD2' ' A' ' 68' ' ' ASP . 38.5 mm -68.36 133.14 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.51 -45.9 5.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.04 136.48 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.461 HG22 ' CG1' ' A' ' 64' ' ' VAL . 22.2 t -107.55 100.42 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.48 117.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.02 59.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -97.22 59.59 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.26 -179.33 16.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.95 -48.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.445 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -47.3 -56.02 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.41 -50.45 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -53.37 -49.56 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 20' ' ' THR . . . -53.07 -40.7 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.58 31.68 2.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.461 ' CG1' HG22 ' A' ' 53' ' ' VAL . 11.6 p -68.52 157.3 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.47 141.47 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 77.3 t -61.52 146.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.423 ' N ' HG11 ' A' ' 66' ' ' VAL . . . 94.58 -26.19 19.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.505 ' C ' ' OD1' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -40.47 129.51 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 28.6 tttm -98.44 89.58 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -48.28 132.29 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.3 mt -113.04 -41.92 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.4 mt-10 -144.73 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 10.0 t -147.89 100.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.69 10.56 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.43 -19.41 19.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.4 p -72.8 136.77 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.42 117.18 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.472 HD11 ' CG2' ' A' ' 73' ' ' VAL . 21.7 mt -97.62 -15.38 20.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.69 89.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.72 28.38 4.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.42 145.66 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 13.6 mt-10 -70.58 164.27 25.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' ALA . 3.5 t60 -46.35 -64.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.5 p80 -42.35 -54.89 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.541 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.9 mt-10 -49.84 -40.47 42.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' HIS . . . -66.78 -59.73 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.5 t -47.59 -57.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.42 -51.53 19.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.422 ' CB ' HD23 ' A' ' 78' ' ' LEU . . . -45.59 -47.32 14.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.83 -49.03 72.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -39.61 57.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.11 88.1 1.39 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.08 141.56 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -81.57 -170.69 44.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 96' ' ' ALA . 80.3 p -39.1 -79.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.436 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -66.31 108.09 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 68.2 t -105.97 115.57 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.72 131.29 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.6 mtm -132.86 122.77 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -87.75 105.14 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.442 ' CG1' ' CG ' ' A' ' 68' ' ' ASP . 35.8 m -102.14 155.41 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.622 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 5.8 t90 -112.33 126.81 55.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 14.1 ttm-85 -156.98 156.08 32.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.608 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 10.4 mt-10 -38.0 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 6.0 pt-20 -121.39 167.92 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.19 135.31 33.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -136.41 150.39 48.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -120.32 129.8 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -125.1 152.24 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -127.52 130.12 48.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.9 mt -118.59 150.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -104.06 129.7 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.5 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.5 ttt180 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.43 70.48 0.44 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.449 HG23 ' CG2' ' A' ' 53' ' ' VAL . 2.7 pt -143.61 160.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -110.74 136.01 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.3 pt -107.94 166.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.55 26.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.96 -134.35 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.46 147.45 8.47 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -51.61 145.51 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 0.792 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 49.98 69.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -171.25 166.06 7.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 1.7 m -70.43 138.81 86.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 5.0 t80 -98.38 -33.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.84 -80.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.28 -147.18 5.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.32 66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -143.2 113.88 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 53.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.16 163.45 12.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mm -95.93 118.4 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 9.4 m-85 -121.32 150.95 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 25.1 mm -68.62 128.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.43 -39.48 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -151.33 149.36 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.449 ' CG2' HG23 ' A' ' 30' ' ' ILE . 11.0 t -127.17 121.77 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 m -72.09 106.71 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.15 -35.86 72.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.36 22.73 7.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.04 -178.94 21.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.466 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.01 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.94 -43.83 60.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.55 -43.82 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -58.74 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ARG . . . -40.64 -39.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.12 30.87 2.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.443 ' CG1' HG22 ' A' ' 53' ' ' VAL . 6.6 p -69.61 160.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -141.96 137.79 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 55.6 t -61.11 137.41 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.93 61.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.32 115.81 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 44.5 tttm -78.61 95.83 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.4 tp -52.77 146.24 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 15.3 mt -127.0 -41.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -139.66 163.77 31.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 25.2 t -150.79 98.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.01 11.55 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.98 -21.83 15.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 10.0 p -71.24 134.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.04 117.04 21.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.478 ' CD1' ' CG2' ' A' ' 73' ' ' VAL . 41.5 mt -108.1 42.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.27 110.5 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 28.8 73.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.61 151.96 21.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.509 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 38.1 mt-10 -71.98 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -50.02 -53.03 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 12.5 p80 -50.43 -53.66 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.557 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.4 mt-10 -45.5 -50.14 13.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.02 -56.72 17.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t -48.8 -54.66 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -50.51 37.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.414 ' HB1' ' CG1' ' A' ' 76' ' ' VAL . . . -65.19 -37.36 87.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 mt -62.0 -49.19 77.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 92' ' ' GLY . 3.4 ptt180 -72.5 -27.37 62.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 91' ' ' ARG . . . -82.71 75.23 2.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . . . -164.92 -176.35 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 95' ' ' THR . . . -138.37 -158.02 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.5 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -38.31 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.412 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.479 ' N ' ' HG1' ' A' ' 95' ' ' THR . . . -83.3 115.26 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' ' 93' ' ' ALA . 71.1 t -115.55 109.71 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -82.74 119.31 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.437 ' HE3' ' CD1' ' A' ' 30' ' ' ILE . 3.9 mtm -123.76 126.46 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.2 ttm180 -99.51 105.69 17.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -101.92 151.37 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.608 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 5.4 t90 -103.11 127.04 50.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.034 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.474 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 2.8 ttm-85 -156.71 155.25 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.429 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' GLU . 8.6 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.597 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 5.5 mt-10 -38.38 157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 5.9 pt-20 -126.19 168.28 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -87.01 136.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.91 161.04 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 m -132.21 134.5 45.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -132.08 151.8 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -126.64 133.1 51.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.48 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 7.7 mt -118.06 150.16 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -94.02 117.97 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 9.0 ttt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.51 65.59 0.42 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.521 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -144.13 151.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -116.25 142.82 46.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 pt -116.11 159.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.51 134.99 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.29 -144.59 15.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.2 -130.03 5.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 37' ' ' GLY . 1.4 ttpp -86.39 -111.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . -71.57 57.67 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.42 169.42 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -68.58 129.39 92.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 148.88 35.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -73.44 -22.16 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -166.39 130.49 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.05 167.72 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.06 76.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.79 101.67 4.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.29 57.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.87 167.17 14.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.03 118.36 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.0 m-85 -119.47 154.58 33.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 20.8 mm -69.62 125.79 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.93 -38.59 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.84 154.19 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.436 HG23 ' CG1' ' A' ' 64' ' ' VAL . 11.7 t -134.49 101.9 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -48.28 107.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.01 -51.03 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -94.67 38.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.53 -179.58 21.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -51.58 -48.65 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.26 -42.29 30.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.13 -45.07 95.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.98 64.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.68 30.2 4.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' A' ' 53' ' ' VAL . 7.2 p -74.29 147.14 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -130.12 135.03 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 53.5 t -58.2 141.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.11 -16.5 59.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.91 137.46 45.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 11.8 tttt -99.37 92.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.478 ' CD1' ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -52.12 140.8 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 12.3 mt -120.42 -42.43 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.4 tm-20 -149.75 149.12 30.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CG2' ' CD1' ' A' ' 70' ' ' LEU . 71.0 t -137.85 114.42 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER 77.45 3.21 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -19.96 18.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 11.8 p -76.29 130.55 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.94 117.2 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 73' ' ' VAL . 36.8 mt -104.7 32.67 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -87.31 79.02 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . . . 119.86 -31.7 5.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 80' ' ' GLY . . . -39.75 136.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.98 163.4 12.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -41.51 -61.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 15.2 p80 -47.84 -55.59 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 4.4 mt-10 -45.78 -43.71 13.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.82 -61.58 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.1 t -46.14 -52.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.79 -54.58 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.83 99.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.4 mt -55.71 -58.07 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -62.79 -25.76 68.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.54 92.47 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -172.6 162.78 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -104.06 -164.53 24.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -39.64 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.484 ' N ' ' HG1' ' A' ' 95' ' ' THR . . . -78.51 107.37 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.3 t -100.04 108.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.75 124.32 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.5 mtm -127.43 117.36 22.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LEU . 8.5 ttt180 -90.75 105.24 17.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.55 161.13 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.597 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 5.3 t90 -115.89 125.53 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.42 158.62 37.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.306 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' GLU . 11.4 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.601 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 61.0 mt-10 -37.25 144.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.431 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.8 pt-20 -116.56 166.4 12.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.86 139.01 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -137.33 152.24 49.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.53 114.9 14.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.22 160.48 14.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -129.39 109.92 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.422 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 5.9 mt -99.0 155.58 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mt -115.08 141.03 48.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.439 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.0 ttt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.92 68.78 0.43 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 ' CE ' ' A' ' 99' ' ' MET . 15.2 pt -144.29 154.37 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.72 143.76 44.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.4 pt -111.22 165.02 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.51 113.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.21 -145.67 15.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 171.57 22.11 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -59.19 128.36 36.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.39 -53.69 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.29 155.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 2.0 m -66.44 139.95 96.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.94 156.2 43.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -93.2 -30.69 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.43 -138.51 3.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -73.93 70.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.37 109.9 4.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -81.31 54.46 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.28 164.93 12.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.461 1.1 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.0 mm -92.8 117.38 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 42.1 m-85 -119.4 152.14 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.429 HG22 ' CG2' ' A' ' 53' ' ' VAL . 28.7 mm -69.28 129.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -97.74 -29.35 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -157.99 151.13 23.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.475 HG23 ' CG1' ' A' ' 64' ' ' VAL . 4.1 t -130.9 124.61 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -58.66 120.96 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -48.05 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.92 38.73 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.28 -179.35 21.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -34.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . -55.19 -61.66 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.28 -46.0 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -60.48 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -49.63 -40.62 40.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.62 30.24 2.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.475 ' CG1' HG23 ' A' ' 53' ' ' VAL . 9.9 p -76.96 155.95 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -142.13 133.91 27.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 56.7 t -56.51 135.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.06 7.55 60.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.11 125.69 28.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.3 tttm -84.58 93.95 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.508 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -54.32 124.89 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.6 mt -103.97 -44.34 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.4 mt-10 -142.45 159.64 41.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.478 HG22 ' CD1' ' A' ' 70' ' ' LEU . 1.5 t -146.02 99.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER 75.84 11.48 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.32 -25.27 11.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 7.5 p -68.39 136.42 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.97 122.69 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.7 25.97 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.33 97.71 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.37 36.72 33.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.31 150.1 22.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 18.6 mt-10 -67.83 164.55 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -51.11 -55.34 18.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.6 p80 -50.01 -53.98 23.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.551 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.1 mt-10 -43.75 -47.81 7.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.07 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.5 t -41.37 -54.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -48.38 62.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.1 mt -67.09 -57.48 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -32.37 72.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.75 91.79 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.437 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . . . -171.29 139.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.78 -165.17 32.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.439 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 19.5 p -40.61 -81.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.75 113.74 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 93' ' ' ALA . 69.7 t -109.06 120.5 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -101.04 131.36 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.461 ' CE ' HD11 ' A' ' 30' ' ' ILE . 3.8 mtm -131.38 117.62 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -88.23 105.02 17.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.2 m -102.73 162.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.601 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 9.8 t90 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.469 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 5.3 ttm-85 -157.21 157.02 33.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.45 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.546 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 66.9 mt-10 -48.29 164.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.441 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 5.0 pt-20 -123.08 167.91 13.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -86.31 133.41 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -138.25 153.24 49.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -134.91 117.32 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.54 158.85 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.9 m -125.12 118.3 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.597 ' CD1' ' CE ' ' A' ' 99' ' ' MET . 6.9 mt -108.35 153.3 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mt -116.17 140.86 48.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 15.3 ttt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.416 ' CD2' HG21 ' A' ' 21' ' ' ILE . 16.6 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -152.59 65.99 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.457 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -146.71 162.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.423 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 12.2 m -120.64 136.33 54.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.7 pt -114.67 154.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.68 153.27 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.21 -149.48 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.91 142.34 10.6 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -48.1 137.47 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.85 -48.74 2.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.7 p -76.89 173.26 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 7.2 m -69.48 145.39 95.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 141.98 27.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -81.61 -26.02 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -119.04 -170.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 99.69 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t0 44.4 42.98 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -113.61 92.54 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -77.24 57.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.12 169.49 14.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -91.18 106.29 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.0 m-85 -112.87 154.69 25.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.14 126.33 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -24.43 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' N ' ' HB2' ' A' ' 31' ' ' SER . 5.5 ttm180 -163.85 155.94 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 t -133.31 103.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.64 108.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.66 -54.76 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.63 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.65 179.54 16.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.26 6.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.468 ' CB ' HG11 ' A' ' 64' ' ' VAL . . . -61.26 -56.04 25.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -69.28 -47.89 63.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.25 -40.87 35.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.48 31.44 1.99 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 59' ' ' ALA . 10.0 p -82.08 148.57 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.42 141.58 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.58 137.88 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.29 7.82 63.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.83 128.11 33.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 22.8 tttm -89.91 101.23 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.493 HD23 ' CG2' ' A' ' 73' ' ' VAL . 3.9 tt -59.29 147.55 35.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 9.4 mt -129.52 -41.57 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -136.05 157.47 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.493 ' CG2' HD23 ' A' ' 70' ' ' LEU . 1.8 t -147.79 98.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.27 10.36 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -25.22 11.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 7.8 p -67.49 134.82 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.14 122.72 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.2 mt -116.32 37.73 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.77 105.51 7.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.96 80.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.86 157.66 21.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.3 168.03 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -54.65 -59.91 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 10.9 p80 -46.21 -53.25 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.542 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.2 mt-10 -44.74 -46.45 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.48 -61.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 90' ' ' LEU . 46.6 t -42.6 -60.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -49.82 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CG1' ' A' ' 73' ' ' VAL . . . -64.83 -38.36 90.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' VAL . 12.5 mt -64.76 -60.99 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -57.72 -26.5 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.09 93.27 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -176.82 144.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.37 -164.69 39.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 1.4 m -41.96 -71.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.72 115.06 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.4 t -112.91 118.59 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.63 139.05 39.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.597 ' CE ' ' CD1' ' A' ' 21' ' ' ILE . 49.0 mtm -144.25 123.07 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -88.74 103.68 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.67 150.65 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.546 ' CE3' ' OE1' ' A' ' 14' ' ' GLU . 9.0 t90 -106.02 124.14 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.475 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 50.6 ttp85 -156.69 155.72 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 8.2 tp10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.531 ' HB2' ' CE2' ' A' ' 102' ' ' TRP . 5.6 mt-10 -44.89 165.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.441 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.6 pt-20 -120.86 163.04 18.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.07 139.61 34.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -139.52 161.91 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 m -133.75 122.18 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -117.59 149.26 40.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.1 m -123.91 122.76 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.6 mt -106.59 152.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mt -104.94 134.73 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 7.9 ttt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.588 ' CD1' ' CE ' ' A' ' 99' ' ' MET . 5.7 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.44 62.66 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.522 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -145.35 154.15 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -112.05 133.74 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 pt -109.81 159.32 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.57 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.3 -125.36 6.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.67 129.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -40.24 149.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.74 -61.22 4.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -69.7 175.47 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 0.717 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -72.21 134.69 82.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.81 20.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.42 -34.99 67.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -105.42 -171.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.81 -89.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -126.26 55.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.53 101.14 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -77.87 57.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.93 167.5 21.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.0 mm -91.71 108.11 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.5 m-85 -112.61 154.95 25.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.52 ' CG1' ' OD2' ' A' ' 68' ' ' ASP . 35.5 mm -68.32 137.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t -104.51 -40.28 6.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -153.34 143.54 22.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.401 ' CG1' HG11 ' A' ' 64' ' ' VAL . 12.5 t -128.51 99.32 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -63.74 107.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -45.76 -44.85 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.2 59.38 5.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.97 179.38 21.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -33.66 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.522 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -64.03 -59.86 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -40.08 -40.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.79 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.74 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.22 27.48 5.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.401 HG11 ' CG1' ' A' ' 53' ' ' VAL . 9.9 p -68.32 151.78 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mtt85 -140.06 131.06 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -50.95 147.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.87 -18.05 56.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.52 ' OD2' ' CG1' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.28 129.26 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 38.3 tttm -95.16 90.49 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -48.99 133.2 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 28.6 mt -113.87 -36.55 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -155.2 147.51 23.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 71.4 t -134.96 114.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.48 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 76.09 3.96 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.69 15.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.82 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 118.74 19.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.8 mt -102.91 35.0 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -91.57 80.58 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.08 -33.01 4.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.28 142.05 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 36.9 mt-10 -70.83 176.39 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -51.63 -62.29 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 9.1 p80 -42.04 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 6.2 mt-10 -46.51 -45.85 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -61.62 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.1 t -42.13 -55.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -43.95 -51.25 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.71 92.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.2 mt -63.0 -52.56 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -70.06 -26.68 64.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -89.85 67.86 2.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.48 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -156.56 151.3 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -97.27 -161.23 31.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 p -38.47 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -73.09 116.38 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 93' ' ' ALA . 76.2 t -112.1 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.6 127.91 35.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.588 ' CE ' ' CD1' ' A' ' 28' ' ' LEU . 2.5 mtt -131.8 118.63 20.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.2 ttp180 -88.42 105.18 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.483 ' CG1' ' CG ' ' A' ' 68' ' ' ASP . 35.2 m -101.75 153.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 14' ' ' GLU . 9.1 t90 -112.02 124.96 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -155.67 157.44 36.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.647 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.26 152.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.4 pt-20 -118.43 161.9 19.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.64 136.7 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 1.5 mt -132.43 163.83 27.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 105.34 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 tp -96.88 159.74 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m -134.76 121.31 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.507 ' CD1' ' CE ' ' A' ' 99' ' ' MET . 9.3 mt -110.84 151.5 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -102.53 141.36 35.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.441 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.5 ttt-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.92 56.05 0.45 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -144.04 159.29 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -118.86 151.96 37.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.0 pt -119.53 162.29 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -162.56 133.63 4.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.3 -116.4 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . 58.69 156.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -59.13 148.34 31.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.85 -60.58 4.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.03 170.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.9 142.0 87.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.69 7.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.816 . . . . 0.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.18 -32.02 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -105.12 -79.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 178.3 113.24 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 3.0 t70 76.06 -58.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.03 100.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.44 164.18 15.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.434 HD11 ' CA ' ' A' ' 35' ' ' GLY . 18.7 mm -92.42 109.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 5.6 m-85 -114.48 156.95 23.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 34.1 mm -69.0 125.41 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -36.78 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 153.0 25.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.447 HG23 ' CG1' ' A' ' 64' ' ' VAL . 5.0 t -131.13 100.19 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.5 m -49.08 111.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -49.84 -54.63 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.97 53.58 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.35 -177.66 14.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -39.39 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.49 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -58.23 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -47.99 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -50.12 -37.09 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 24.68 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 53' ' ' VAL . 9.0 p -72.39 156.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -139.2 137.4 35.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 69.6 t -58.44 147.92 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.61 -24.26 28.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.61 131.36 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 45.0 tttm -91.87 98.65 11.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -58.26 130.54 47.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 6.1 mt -112.11 -39.88 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.99 160.42 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 2.6 t -150.98 101.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.28 10.71 5.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.41 -21.76 18.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.9 p -69.71 137.77 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.83 122.17 28.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.77 43.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.08 72.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.67 -27.6 4.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.49 142.78 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 38.5 mt-10 -72.29 171.22 12.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -48.51 -56.58 7.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.644 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.518 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.7 p80 -52.48 -53.74 41.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.518 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.9 mt-10 -43.78 -50.18 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.76 10.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -41.88 -53.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -49.37 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.4 74.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -53.6 -52.24 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -24.56 63.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.56 92.16 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -176.02 137.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.04 -163.3 21.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.441 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 68.4 p -38.83 -80.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -71.7 116.59 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.1 t -108.87 116.76 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -95.15 131.6 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.507 ' CE ' ' CD1' ' A' ' 21' ' ' ILE . 13.2 mtm -133.54 118.02 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.24 105.42 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.56 167.16 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.647 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 6.8 t90 -120.33 126.19 49.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.401 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 4.7 ttm-85 -157.04 155.91 31.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 8.5 tt0 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -137.02 162.85 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -131.31 164.26 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.62 117.31 11.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.9 -58.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.3 161.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.971 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.44 -94.37 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 49.33 88.13 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.34 141.32 28.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -88.03 141.12 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 mm -111.31 137.33 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.2 pt-20 -176.91 138.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 1.9 mp0 -38.17 147.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.1 pt-20 -116.72 166.89 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -84.53 136.25 33.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 1.2 mt -137.0 151.62 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m -126.84 127.85 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -121.08 151.94 39.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m -118.25 120.61 38.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.0 mt -106.09 155.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.6 mt -109.91 138.92 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -121.24 104.37 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -109.01 -4.38 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.5 t -171.47 151.19 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.49 -119.64 1.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.79 -153.11 8.72 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' CD1' ' HE3' ' A' ' 99' ' ' MET . 19.4 mt -86.62 -166.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.63 63.05 0.63 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.468 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -144.09 170.44 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -129.89 140.24 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 86' ' ' ALA . 24.9 pt -115.56 155.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.73 148.92 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.49 -122.51 5.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 137.06 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -53.4 136.54 37.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.96 -45.13 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.06 174.78 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.965 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.429 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 2.8 m -68.36 145.42 97.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 162.07 37.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.444 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 80.6 t80 -90.61 -36.7 14.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -125.93 116.76 22.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.98 -147.59 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -90.53 68.07 6.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.59 104.07 7.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.75 56.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.11 167.65 13.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.11 107.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.1 m-85 -113.24 155.08 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.415 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 37.1 mm -68.61 128.87 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.444 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 47.8 t -98.49 -25.22 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -161.42 155.21 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.462 HG21 ' CG1' ' A' ' 64' ' ' VAL . 3.8 t -135.03 100.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.4 m -45.91 116.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -52.08 57.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 72.64 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -141.14 -175.89 15.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -34.31 3.93 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 30' ' ' ILE . . . -63.93 -57.85 8.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.63 -40.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -64.43 -50.69 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.33 -39.99 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.12 26.19 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.462 ' CG1' HG21 ' A' ' 53' ' ' VAL . 8.2 p -67.99 147.08 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.12 134.75 45.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.415 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 76.8 t -58.03 139.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.55 -13.53 62.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.67 128.68 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.568 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 37.7 tttm -88.17 100.12 12.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 102' ' ' TRP . 4.4 mt -116.84 -41.94 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -141.0 159.08 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.507 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 8.7 t -149.34 105.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.84 11.1 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.56 -22.88 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.507 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.0 p -68.64 141.43 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.04 118.46 26.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.449 HD12 ' CG2' ' A' ' 73' ' ' VAL . 28.1 mt -103.57 27.32 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.3 113.7 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.12 46.7 20.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.09 145.32 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 46.8 mt-10 -64.07 155.97 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -43.46 -58.18 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.568 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 7.8 p80 -48.53 -55.55 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.4 mt-10 -46.41 -49.86 17.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.406 ' HB2' ' CD1' ' A' ' 32' ' ' ILE . . . -63.33 -59.22 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.4 t -45.38 -57.37 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -53.56 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.25 -55.23 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.462 ' CD2' ' HE2' ' A' ' 99' ' ' MET . 28.3 mt -49.92 -52.96 29.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -39.21 56.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.64 88.53 1.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 97' ' ' VAL . . . -174.58 135.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.5 36.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 p -38.2 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.76 122.6 23.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 93' ' ' ALA . 75.8 t -120.45 118.89 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -95.76 131.23 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.469 ' HE3' ' CD1' ' A' ' 28' ' ' LEU . 1.2 mtt -130.47 119.96 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -93.3 105.39 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.454 HG13 ' CD2' ' A' ' 70' ' ' LEU . 27.8 m -101.66 164.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.607 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 7.5 t90 -116.61 125.46 51.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.47 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 12.8 ttm-85 -156.87 156.24 32.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 1.3 tt0 -87.25 137.03 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.2 p -49.82 103.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.96 175.82 26.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.69 31.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 110' ' ' GLY . 71.1 m -121.22 116.16 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.2 m 62.82 -79.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.057 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 108' ' ' SER . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -175.22 158.37 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 p -143.53 163.52 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.06 110.82 2.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.64 129.46 41.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.993 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.45 151.32 32.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.03 84.0 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -130.92 93.41 31.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.54 3.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.38 171.12 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -72.53 155.83 39.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mt -102.72 133.65 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -176.62 138.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.597 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -38.58 155.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 5.5 pt-20 -125.01 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -85.9 138.38 32.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -140.11 151.33 45.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -129.74 116.61 19.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.348 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.57 159.45 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -135.66 114.69 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.43 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mt -103.24 156.01 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -105.84 100.17 9.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -45.52 111.7 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' THR . 2.1 pt20 -112.2 73.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' GLN . 5.2 t 36.22 46.15 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.92 38.65 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.422 ' C ' ' CD1' ' A' ' 28' ' ' LEU . . . 47.22 -105.62 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -133.12 -161.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.51 53.53 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.473 HG21 ' CG2' ' A' ' 53' ' ' VAL . 22.2 pt -137.65 166.27 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.93 143.13 49.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 pt -113.44 156.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.15 112.28 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.54 -151.48 23.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.62 152.22 15.59 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -52.06 135.25 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.09 -56.8 4.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 111.038 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -55.42 160.37 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 61.1 m -67.69 140.46 94.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.02 -174.47 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 2.6 t80 -116.22 -32.31 5.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -104.83 -80.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.98 -151.23 6.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.08 64.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -125.1 118.59 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.84 53.28 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.0 164.82 18.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.1 126.82 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 17.3 m-85 -121.32 162.62 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.8 mm -81.55 126.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -30.86 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -159.31 159.67 34.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' CG2' HG21 ' A' ' 30' ' ' ILE . 3.5 t -137.17 121.18 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 m -57.78 110.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.64 -51.89 44.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -107.34 42.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.08 -175.8 22.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.46 3.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . -61.45 -58.33 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -76.42 -47.26 23.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -49.17 -39.85 30.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.61 29.92 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.433 ' CG1' HG22 ' A' ' 53' ' ' VAL . 9.2 p -80.63 157.1 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.95 136.31 30.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.4 140.61 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.38 78.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 131.99 52.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.1 tttm -92.89 97.61 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -55.49 126.45 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 8.9 mt -106.67 -41.13 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.9 mt-10 -145.69 160.7 41.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 2.7 t -147.71 99.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.16 9.99 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.57 -22.91 14.23 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 7.2 p -71.54 135.48 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.8 120.5 25.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.461 ' CD1' HG21 ' A' ' 73' ' ' VAL . 18.7 mt -97.18 -11.13 24.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.6 mt-30 -38.77 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.34 53.13 3.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -121.37 143.66 49.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 40.7 mt-10 -73.09 176.53 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.96 -52.35 65.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 9.2 p80 -53.31 -47.58 69.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.479 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 6.3 mt-10 -51.63 -40.04 59.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.05 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.6 t -50.28 -56.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -52.91 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -52.28 -59.03 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.4 mt -48.28 -48.33 35.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -55.17 -48.46 73.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.49 91.47 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -169.41 131.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.58 -167.58 14.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 22.7 m -41.19 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.5 106.57 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.8 t -100.97 108.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 124.57 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.7 mtm -130.43 115.14 16.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 11.2 ttm180 -89.0 106.65 18.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 34.3 m -102.0 169.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.597 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 6.6 t90 -126.75 123.97 38.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 108.03 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.471 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 35.4 ttm-85 -156.48 157.71 35.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -91.32 123.31 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.6 m -127.01 141.35 51.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.42 -146.7 5.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.6 4.25 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.1 m 47.99 91.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.27 157.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 p -131.89 169.86 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.67 108.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.8 -157.51 8.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.54 158.74 9.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.764 . . . . 0.0 110.056 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -173.57 158.79 3.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.79 147.07 18.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.13 116.22 42.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.75 33.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.78 149.32 51.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 140.37 29.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.0 mt -115.86 148.57 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.7 pt-20 -170.32 130.22 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.608 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 19.3 mt-10 -38.77 146.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' CG ' HD23 ' A' ' 17' ' ' LEU . 5.4 pt-20 -117.26 166.86 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.59 135.42 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD11 ' CB ' ' A' ' 103' ' ' ARG . 2.7 mt -131.01 155.14 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 m -127.86 128.75 45.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 mt -128.69 150.75 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -124.6 135.0 52.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.5 mt -118.53 152.14 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -98.49 113.61 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.495 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -80.36 149.16 30.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 171.19 116.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.2 t 38.85 44.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.09 128.84 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.64 62.14 4.47 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.4 mt 73.49 -179.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.93 61.52 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.421 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -141.04 161.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -118.18 134.91 54.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.3 163.72 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.5 165.94 34.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.01 -118.79 5.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.74 132.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -42.06 131.34 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.33 48.66 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.01 165.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.059 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 3.0 m -67.15 143.75 97.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.97 165.83 30.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -96.23 -35.36 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -84.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.19 -138.89 4.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.59 67.33 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -142.25 118.4 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.05 46.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.65 169.07 16.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.5 mm -94.31 116.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 11.9 m-85 -122.15 152.1 40.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.453 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 28.1 mm -68.84 132.92 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -103.89 -33.55 8.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.61 145.2 19.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -127.37 108.5 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.8 m -53.4 109.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -48.87 64.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -98.32 42.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.81 -178.47 18.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.471 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.01 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -55.42 -57.35 12.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.96 -49.69 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -50.99 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.28 19.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.14 28.39 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.77 152.74 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.401 ' NH1' ' NH1' ' A' ' 103' ' ' ARG . 73.7 mtt180 -133.73 144.15 48.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 48.1 t -67.96 138.61 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.41 ' N ' HG11 ' A' ' 66' ' ' VAL . . . 94.5 1.25 64.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.46 124.12 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 16.4 tttm -85.16 95.63 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.477 ' CD1' ' CG2' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -54.57 140.97 33.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.483 ' CD2' ' HB2' ' A' ' 102' ' ' TRP . 6.6 mt -120.95 -42.01 2.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.5 tm-20 -149.43 145.91 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG2' ' CD1' ' A' ' 70' ' ' LEU . 20.9 t -137.56 112.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.483 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 78.19 3.61 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.7 -22.5 14.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.2 p -73.18 132.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.43 117.46 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.8 mt -105.48 36.96 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.81 108.43 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.81 29.72 70.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.29 151.67 19.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.42 168.48 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -54.74 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.617 ' CD2' ' N ' ' A' ' 85' ' ' GLU . 6.6 p-80 -47.51 -49.36 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.617 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 3.1 mt-10 -49.16 -44.56 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.08 -59.89 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.8 t -47.6 -57.97 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -55.56 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.28 -63.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.2 mt -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -53.98 -51.1 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.96 83.01 0.84 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.483 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -168.91 135.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.19 -161.49 34.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.495 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.9 m -39.91 -81.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.29 107.69 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 93' ' ' ALA . 56.1 t -107.19 107.63 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -77.15 126.04 30.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.2 mtm -127.1 115.4 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 1.9 ttt180 -94.73 104.89 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.63 164.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.608 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 4.6 t90 -115.91 129.17 56.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.481 ' CB ' HD11 ' A' ' 17' ' ' LEU . 18.0 ttp85 -157.28 152.84 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -96.61 141.04 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.97 110.33 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 53.54 -176.75 0.23 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 91.97 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.8 m -65.97 136.21 55.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 m -93.28 -58.38 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -168.38 170.46 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -110.78 147.45 34.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.053 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.87 -170.18 11.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -126.61 128.03 46.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.46 170.62 7.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.1 169.11 17.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.8 95.25 4.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.7 39.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.783 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.55 178.69 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -68.97 148.24 50.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.4 mt -117.65 130.26 72.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.5 pt-20 -149.92 124.37 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.619 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 17.7 mt-10 -37.17 145.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 7.5 pt-20 -114.31 166.98 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.2 140.6 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -136.04 163.19 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -134.55 111.73 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD23 ' CA ' ' A' ' 64' ' ' VAL . 4.8 tp -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 m -134.88 133.74 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 11.2 mt -125.77 152.12 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -106.22 133.1 51.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.498 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -92.53 139.1 30.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -134.09 -55.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.1 146.37 23.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.29 -99.11 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.565 1.166 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.89 89.85 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt 53.0 174.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.71 68.24 0.4 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CD1' ' CE ' ' A' ' 99' ' ' MET . 1.6 pt -146.33 166.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 m -121.47 136.38 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 pt -114.09 163.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.14 130.1 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.05 -150.75 18.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' CA ' HD13 ' A' ' 48' ' ' ILE . . . 128.35 -160.78 22.12 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 37' ' ' GLY . 16.0 ttmm -73.31 -107.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -71.92 57.75 1.39 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t -138.84 170.96 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 7.8 m -70.72 135.23 85.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.3 Cg_endo -75.0 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.416 ' CE2' ' HA ' ' A' ' 51' ' ' SER . 50.3 t80 -110.6 -27.75 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.03 -71.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -147.43 -146.61 4.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -71.66 74.56 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -146.24 112.21 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.81 55.2 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.05 -177.51 17.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.453 HD13 ' CA ' ' A' ' 35' ' ' GLY . 9.2 mm -114.47 119.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.8 m-85 -122.05 157.35 31.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.404 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 24.2 mm -70.72 135.68 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.416 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -101.34 -40.08 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.84 154.44 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.437 HG23 ' CG1' ' A' ' 64' ' ' VAL . 5.1 t -131.28 97.28 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 m -49.65 107.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.91 -37.68 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.62 37.79 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.81 179.98 16.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.96 -33.44 4.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.63 -54.1 49.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.98 -47.83 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -50.8 70.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.95 -41.48 46.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.45 26.21 4.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.462 ' CA ' HD23 ' A' ' 19' ' ' LEU . 9.4 p -69.15 147.74 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -123.28 145.57 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 49.0 t -70.17 141.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.38 7.22 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 124.9 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.55 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.1 tttm -83.37 106.53 15.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -64.14 134.71 55.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 102' ' ' TRP . 7.9 mt -115.61 -41.91 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.54 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 10.9 t -148.16 103.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.31 10.79 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.74 -22.12 15.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.2 p -69.54 136.79 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.48 117.48 23.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 73' ' ' VAL . 28.4 mt -102.87 34.69 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -90.51 103.55 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.23 46.61 56.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.07 141.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 43.0 mt-10 -65.89 155.14 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -40.0 -56.02 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.3 p80 -52.05 -54.61 28.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 4.2 mt-10 -47.25 -48.33 24.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -57.37 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.4 t -47.41 -54.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.16 -51.81 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.67 -55.9 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.7 mt -49.28 -51.78 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -52.74 -35.43 56.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.56 82.33 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' HB1' ' CG2' ' A' ' 97' ' ' VAL . . . -170.95 161.29 6.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.446 ' O ' ' CG2' ' A' ' 97' ' ' VAL . . . -120.0 -157.91 10.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.498 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -38.35 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.409 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -72.75 109.51 6.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 94' ' ' GLY . 53.7 t -110.04 111.82 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.54 128.7 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.461 ' CE ' ' CD1' ' A' ' 30' ' ' ILE . 0.3 OUTLIER -129.46 115.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -89.29 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.404 HG13 ' CD2' ' A' ' 70' ' ' LEU . 27.7 m -102.03 162.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.619 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 10.2 t90 -114.86 125.67 53.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 108.039 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.454 ' CB ' HD12 ' A' ' 17' ' ' LEU . 2.3 ttm-85 -157.11 154.75 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -89.65 146.98 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.2 t -137.84 106.8 5.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.47 -153.41 5.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 106.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 t -158.58 93.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.935 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -61.42 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 p -62.32 144.25 55.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 109.939 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.65 145.86 6.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.54 112.13 3.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -139.02 167.09 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 m -41.63 159.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.51 -129.75 6.77 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -163.8 108.09 0.94 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.78 5.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.98 133.04 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -122.29 137.89 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.2 mt -100.75 130.35 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -176.98 134.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 102' ' ' TRP . 5.7 mt-10 -51.02 159.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 7.6 pt-20 -114.81 164.72 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.59 139.76 32.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -136.33 156.01 49.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -134.8 117.65 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.26 158.12 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 m -133.4 104.74 6.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.5 mt -93.96 155.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.76 138.42 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' THR . 1.3 ttt-85 -97.15 153.19 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -171.04 -59.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -137.33 138.61 40.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.31 -99.75 1.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.05 81.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt 59.83 177.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.82 64.78 0.47 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.469 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.2 pp -143.76 176.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 17.7 m -140.46 155.08 46.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.6 164.55 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 51' ' ' SER . . . -166.35 118.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.87 -153.54 20.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.415 ' N ' HD11 ' A' ' 48' ' ' ILE . . . 109.73 147.62 11.88 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -40.33 130.66 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.04 -55.28 3.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -65.03 158.47 25.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 2.7 m -66.6 146.32 99.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.3 -35.68 76.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.12 141.74 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.87 164.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.52 73.65 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -144.49 115.2 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -78.82 54.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.38 165.3 12.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 35' ' ' GLY . 21.9 mm -90.59 109.67 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 6.0 m-85 -113.2 156.19 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 12.3 mm -69.26 139.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.451 ' HB2' ' CB ' ' A' ' 33' ' ' ALA . 23.8 t -107.03 -22.19 12.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' N ' ' HB2' ' A' ' 31' ' ' SER . 3.5 ttt85 -163.55 150.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.0 t -132.72 103.03 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 m -49.82 107.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -52.95 -54.41 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -94.17 50.25 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.64 179.43 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' CB ' HG23 ' A' ' 30' ' ' ILE . . . -63.79 -60.04 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -34.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.73 -48.41 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -49.15 -40.47 32.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.71 30.76 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 30' ' ' ILE . 9.8 p -81.98 150.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -140.63 137.62 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 67.2 t -58.88 137.57 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.65 -5.6 76.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 123.17 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . 31.0 tttm -81.25 95.52 6.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 73' ' ' VAL . 0.6 OUTLIER -57.13 146.13 28.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 7.5 mt -123.85 -40.81 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.1 tm-20 -151.03 148.96 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.424 ' CG2' HD12 ' A' ' 70' ' ' LEU . 71.8 t -138.83 114.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 76.2 3.8 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.41 16.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.8 p -73.88 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.79 110.62 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.5 35.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -85.46 115.33 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.97 44.23 92.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.1 145.96 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.68 158.59 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -45.87 -55.83 6.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.5 p80 -51.74 -52.92 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 5.2 mt-10 -47.61 -42.97 25.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.52 -61.74 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.4 t -45.05 -59.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -57.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.75 -57.69 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -45.1 -54.99 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -51.51 -38.58 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.27 81.01 1.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.465 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -161.66 134.6 6.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.32 -162.81 37.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' ARG . 3.3 p -43.36 -50.37 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.45 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 93' ' ' ALA . 53.6 t -111.35 113.4 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -95.87 127.35 41.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.457 ' HE2' ' CD1' ' A' ' 30' ' ' ILE . 1.3 mtm -125.99 114.48 18.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.5 ttt180 -93.11 104.43 16.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.2 m -107.03 159.37 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.556 ' CZ2' ' HB2' ' A' ' 14' ' ' GLU . 13.6 t90 -110.55 125.88 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CB ' HD11 ' A' ' 17' ' ' LEU . 1.7 ttm-85 -155.97 156.54 34.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.409 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -87.89 152.46 22.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.0 p -72.31 109.51 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -125.94 154.76 18.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.21 156.62 14.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.22 89.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -118.84 156.4 29.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.9 p -104.47 160.26 15.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.09 -92.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 m 58.09 106.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -164.82 137.08 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.82 130.02 5.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.93 151.63 42.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.29 22.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.02 177.26 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -104.72 158.52 16.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.9 mm -111.87 137.33 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -177.13 137.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.591 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 4.4 mt-10 -39.16 156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 6.5 pt-20 -122.06 168.75 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -88.94 134.23 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mt -133.67 153.0 52.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 m -124.18 135.84 53.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -132.31 153.32 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.4 m -126.55 121.05 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 6.2 mt -105.32 153.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' N ' HD21 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -102.84 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 4.5 ttt-85 -72.62 123.07 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -153.69 -45.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.8 p -110.9 120.01 40.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 45.44 -110.04 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.73 77.27 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt 71.91 -169.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.24 50.38 0.59 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.45 149.5 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 137.17 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.6 pt -106.78 161.12 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.28 -113.87 3.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.81 140.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -50.66 134.48 24.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.68 -57.18 0.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.95 168.52 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.8 146.42 99.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 158.85 41.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -91.87 -29.35 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.84 132.31 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.42 -150.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -96.72 62.28 1.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.77 115.61 20.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.61 49.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.43 165.75 16.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.9 mm -94.48 107.96 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 7.0 m-85 -109.65 164.11 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.6 mm -83.31 121.3 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -48.22 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.51 155.45 46.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 HG11 ' CG1' ' A' ' 64' ' ' VAL . 15.4 t -133.26 106.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.9 m -52.15 110.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -53.84 17.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.41 83.62 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.02 -174.77 28.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.93 -38.46 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.79 -67.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.03 -20.88 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 10.2 ttt85 -83.34 -10.01 58.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.3 -29.69 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.55 31.71 1.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.46 ' CG1' HG11 ' A' ' 53' ' ' VAL . 6.0 p -76.83 157.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -141.83 135.39 29.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 67' ' ' GLY . 53.2 t -59.74 137.73 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' N ' HG11 ' A' ' 66' ' ' VAL . . . 97.21 -11.77 65.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -53.6 128.06 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 33.5 tttm -94.0 94.85 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 HD22 ' CG2' ' A' ' 73' ' ' VAL . 5.6 tp -50.15 147.12 4.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 102' ' ' TRP . 17.2 mt -127.18 -41.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.18 166.35 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.524 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 3.1 t -152.69 98.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.413 ' ND2' ' HB2' ' A' ' 93' ' ' ALA . 0.4 OUTLIER 70.34 10.46 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.59 21.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.9 p -79.29 128.5 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.71 115.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.43 ' CD1' ' CG2' ' A' ' 73' ' ' VAL . 38.2 mt -105.66 41.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.91 100.52 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.17 28.28 53.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.88 146.58 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 3.6 mt-10 -64.64 158.79 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.38 -58.52 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.562 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 14.9 p80 -44.26 -54.92 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.562 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.2 mt-10 -48.46 -49.66 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.17 -58.47 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.47 HG11 ' CD ' ' A' ' 91' ' ' ARG . 39.1 t -45.46 -58.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -50.48 57.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.05 -43.76 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 50.1 mt -68.32 -48.76 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.47 ' CD ' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -52.22 -42.12 63.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -86.22 85.14 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.413 ' HB2' ' ND2' ' A' ' 74' ' ' ASN . . . -173.05 133.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 0.801 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.41 -163.73 29.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 3.5 m -38.86 -82.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 110.35 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.3 t -109.08 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.51 128.06 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 7.1 mtm -133.64 120.74 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LEU . 1.4 ttt85 -92.84 105.72 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.0 m -102.16 152.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.591 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 4.2 t90 -104.4 127.76 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.401 ' CD ' ' OD1' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -156.36 157.64 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.42 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 2.1 tt0 -89.33 137.11 32.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -149.19 110.71 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 54.26 168.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 82.42 2.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.52 135.1 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.3 p -83.49 160.16 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -85.59 156.17 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.85 121.69 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.63 -74.03 0.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.87 156.31 19.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -103.47 170.83 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.96 -62.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 64.26 136.77 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 110.323 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 122.62 7.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.89 129.45 50.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.84 163.2 19.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.9 mt -119.08 137.95 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.1 pt-20 -177.95 139.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 9.0 mp0 -38.19 149.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 5.7 pt-20 -120.5 167.44 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.04 139.34 31.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -137.94 154.49 49.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -127.12 105.63 8.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -93.51 163.05 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 m -135.51 123.9 23.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.9 mt -115.82 151.65 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mt -103.65 138.33 40.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -87.89 122.44 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -115.36 -94.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.1 p -93.99 -75.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.0 -39.34 20.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 92.75 111.52 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 1.2 mp 62.16 127.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.27 57.67 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.481 HG21 ' CB ' ' A' ' 59' ' ' ALA . 1.3 pp -134.09 161.64 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.75 152.31 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 pt -114.82 156.26 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -155.9 121.15 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.71 -131.47 5.77 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.11 138.9 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -45.06 136.27 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.74 -58.7 1.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -70.11 168.26 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.421 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 3.3 m -66.79 144.87 98.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.95 146.31 32.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.784 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CD2' ' HG3' ' A' ' 42' ' ' LYS . 88.4 t80 -77.71 -38.11 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 4.3 mtpt -127.0 120.76 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.1 -153.64 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -85.64 69.25 10.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.11 108.72 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.3 54.19 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.18 162.72 14.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.7 mm -90.07 112.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.5 m-85 -115.8 155.04 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.54 130.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.82 -43.15 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.38 158.39 43.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.444 ' CG2' HG22 ' A' ' 30' ' ' ILE . 2.3 t -135.73 100.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -46.09 139.56 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.01 -48.68 34.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 4.9 pt-20 -101.06 51.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.55 175.92 16.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.17 6.44 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.481 ' CB ' HG21 ' A' ' 30' ' ' ILE . . . -64.54 -56.36 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.99 -42.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -65.38 -46.79 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -52.05 -42.24 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.47 29.86 2.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.402 HG13 ' CG2' ' A' ' 30' ' ' ILE . 7.1 p -75.79 158.46 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.402 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.2 mpt_? -141.52 141.16 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 67' ' ' GLY . 70.7 t -61.15 142.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.425 ' N ' HG13 ' A' ' 66' ' ' VAL . . . 96.44 -19.04 56.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' OD1' ' NE ' ' A' ' 103' ' ' ARG . 8.7 m-20 -48.45 119.03 2.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 26.1 tttm -79.22 96.26 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.58 136.66 57.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 9.1 mt -116.5 -40.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -151.36 146.57 26.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.46 ' CG2' HD12 ' A' ' 70' ' ' LEU . 71.5 t -134.59 114.35 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.513 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.6 OUTLIER 77.54 3.51 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.85 -21.97 15.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.428 ' CG1' ' HB2' ' A' ' 89' ' ' ALA . 7.9 p -73.74 131.26 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.97 117.06 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.77 30.84 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -72.34 106.18 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.24 43.34 99.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.26 150.45 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.45 163.12 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -50.28 -60.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.545 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 9.7 p80 -46.38 -53.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.545 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.6 mt-10 -45.77 -47.12 15.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.68 -61.67 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.3 t -43.5 -60.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -57.45 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.428 ' HB2' ' CG1' ' A' ' 76' ' ' VAL . . . -48.57 -61.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -41.27 -54.75 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -50.6 -44.54 57.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.96 91.05 1.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.513 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -166.11 132.03 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.2 -164.8 18.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 p -39.2 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.451 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.47 109.88 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 96.7 t -94.0 114.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -89.11 130.68 35.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.9 mtm -131.39 116.15 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 -88.4 104.64 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.5 m -102.61 162.25 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.607 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 9.0 t90 -116.62 125.11 51.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 107.964 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.467 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -157.18 158.51 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.427 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 10.5 tt0 -91.1 133.41 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.2 t -92.75 139.38 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.74 136.01 12.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 70.45 5.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.62 130.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.31 -61.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 54.01 99.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.27 115.17 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.92 -70.08 1.02 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.8 153.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.761 . . . . 0.0 110.012 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.21 126.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.63 167.9 32.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -51.26 151.05 5.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.19 8.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 53.27 175.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.9 147.27 43.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -117.35 133.81 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.2 pt-20 -178.06 138.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.609 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 7.6 mp0 -38.18 150.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.422 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.8 pt-20 -121.72 165.33 15.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.87 137.74 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -136.19 155.99 49.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 m -134.38 116.05 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.29 161.12 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -135.53 105.9 6.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG1' ' CB ' ' A' ' 62' ' ' ALA . 3.7 mt -98.61 155.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.39 118.69 37.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' CG ' HG23 ' A' ' 97' ' ' VAL . 1.0 OUTLIER -60.18 82.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' LEU . 23.7 pt20 -164.12 -175.26 3.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 110.246 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' GLN . 11.6 t 34.37 44.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . 92.33 42.3 4.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 40.74 -96.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 26' ' ' GLY . 5.8 mp -123.45 134.74 53.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.8 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.31 58.56 0.39 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.466 HG23 ' CG2' ' A' ' 53' ' ' VAL . 1.0 OUTLIER -135.46 160.56 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.29 135.59 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.0 pt -105.34 152.57 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.54 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.7 -134.16 6.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . 89.48 146.36 13.92 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 6.9 ttpt -49.77 161.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 0.725 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . 48.15 51.36 20.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.68 173.59 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.431 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 2.4 m -73.71 145.69 84.75 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.97 179.35 6.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -117.61 -33.92 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.06 -69.5 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.8 -176.76 14.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 78.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.47 132.3 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.4 49.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.64 162.69 12.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.446 HD11 ' CA ' ' A' ' 35' ' ' GLY . 5.5 mm -98.87 114.55 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.51 151.87 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.445 HG22 ' CG2' ' A' ' 53' ' ' VAL . 10.2 mm -73.7 129.46 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.61 -44.1 8.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -145.94 150.97 37.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 30' ' ' ILE . 14.4 t -136.83 109.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -63.93 108.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.32 -27.98 62.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -103.47 27.92 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.82 179.46 19.64 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.458 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' CB ' HG21 ' A' ' 30' ' ' ILE . . . -65.06 -57.1 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.83 -38.46 7.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -67.68 -50.58 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.469 ' CB ' ' CG1' ' A' ' 21' ' ' ILE . . . -47.86 -36.39 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.67 29.71 2.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.413 ' CG1' HG23 ' A' ' 53' ' ' VAL . 4.1 p -78.1 157.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.1 140.12 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 52.9 t -63.8 136.12 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.68 -12.19 67.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.29 132.82 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -93.28 100.07 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 HD21 ' CG2' ' A' ' 73' ' ' VAL . 5.3 tp -55.44 143.16 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 9.0 mt -123.87 -40.68 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.43 166.27 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.511 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 2.8 t -150.98 99.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 73.32 6.65 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.15 -10.24 22.59 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 8.7 p -83.71 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.1 115.55 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.448 HD11 ' CG2' ' A' ' 73' ' ' VAL . 21.7 mt -99.63 -16.95 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -36.18 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.14 43.38 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.82 155.17 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.47 ' CG ' ' HE3' ' A' ' 36' ' ' LYS . 22.9 mt-10 -81.18 166.12 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -52.13 -52.21 53.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.537 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 13.4 p80 -53.71 -50.35 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.537 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 7.0 mt-10 -50.18 -47.75 54.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.79 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.16 -56.79 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -54.76 27.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -44.87 -51.48 9.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 mt -52.32 -51.96 55.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.41 -52.0 63.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.32 85.31 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -165.68 131.2 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.3 -170.31 0.74 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 67.2 m -43.12 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.61 113.23 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.401 HG23 ' CG ' ' A' ' 23' ' ' ARG . 48.3 t -95.17 106.58 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -84.46 125.79 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.6 mtm -129.58 121.18 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -95.11 104.56 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.46 157.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.609 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 6.4 t90 -111.87 126.36 55.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.028 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.471 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 17.4 ttm-85 -157.2 155.21 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -92.61 132.94 36.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -99.22 90.25 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -115.48 -144.78 8.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.6 42.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -140.59 -55.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.1 t -62.18 -75.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.04 138.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -131.44 171.61 13.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.29 166.55 31.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -135.69 161.12 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.4 124.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.07 142.39 15.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.16 155.7 79.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 86.28 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.96 165.49 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.12 146.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -105.73 136.89 38.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -172.43 137.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.612 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.91 157.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 103' ' ' ARG . 8.2 pt-20 -122.83 165.61 16.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.46 139.13 32.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -136.8 163.18 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.7 m -134.96 112.03 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 9.3 tp -100.15 160.63 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -134.87 121.34 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.6 mt -112.87 152.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 mt -111.66 139.87 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -79.16 149.09 32.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.24 -40.26 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -176.93 -70.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.18 -62.71 6.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.452 ' C ' ' CD2' ' A' ' 28' ' ' LEU . . . 133.44 99.26 0.68 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 55.94 174.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.288 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.09 68.82 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.476 HG22 ' CB ' ' A' ' 59' ' ' ALA . 8.9 pt -146.0 169.07 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.2 m -124.11 149.46 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 pt -122.17 166.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.69 127.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.59 -132.49 7.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' CA ' HD13 ' A' ' 48' ' ' ILE . . . 90.98 150.95 25.8 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -44.38 148.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.98 55.79 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.13 168.73 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.933 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.418 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 8.7 m -73.8 143.76 81.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.06 153.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.573 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 89.2 t80 -88.7 -32.13 18.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -123.89 -78.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -118.53 -178.82 17.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -64.62 78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.2 m-20 -137.22 116.48 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.48 54.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.51 175.89 18.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.407 HD13 ' CA ' ' A' ' 35' ' ' GLY . 17.6 mm -99.88 125.06 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -120.54 151.78 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.46 HG23 ' CG2' ' A' ' 53' ' ' VAL . 30.3 mm -68.53 124.63 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.573 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 30.6 t -92.43 -37.0 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -154.43 152.7 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 ' CG2' HG23 ' A' ' 50' ' ' ILE . 3.3 t -137.47 95.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -51.0 108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.01 -21.51 31.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.39 28.65 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.62 -178.29 19.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.06 2.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.476 ' CB ' HG22 ' A' ' 30' ' ' ILE . . . -57.89 -53.65 55.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.44 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.34 35.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.51 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.93 3.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.467 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 4.6 p -82.42 154.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -135.68 139.5 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.31 144.84 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.33 -22.83 38.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 134.63 24.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 46.4 tttm -95.89 101.76 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.476 HD22 ' CG2' ' A' ' 73' ' ' VAL . 7.0 tp -56.59 147.15 23.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 11.8 mt -127.45 -42.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -139.89 170.49 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.52 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 6.6 t -152.82 100.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.51 10.92 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.66 -16.84 21.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.4 p -74.86 132.99 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.17 116.41 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 73' ' ' VAL . 23.5 mt -99.14 -4.21 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -76.26 91.9 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.31 -32.08 3.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.02 160.75 28.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.519 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 37.6 mt-10 -80.69 -177.1 6.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -61.53 -55.44 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.623 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.519 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 6.6 p80 -50.93 -49.52 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -49.35 -42.75 42.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -60.43 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.7 t -40.35 -59.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.94 -60.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB3' ' CG1' ' A' ' 76' ' ' VAL . . . -43.05 -58.67 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -44.6 -55.92 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -50.45 -51.87 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.73 87.75 0.74 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -174.69 128.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.16 -166.78 2.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -40.75 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.384 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.87 118.18 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.4 t -111.56 112.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -89.15 123.04 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.461 ' CE ' HD11 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -125.01 127.02 46.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -97.38 104.41 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.74 154.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.612 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 6.8 t90 -106.8 125.98 51.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' O ' ' CG ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -156.59 157.44 35.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -86.97 146.98 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 71.7 p -79.56 111.8 16.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.28 135.22 33.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.461 1.1 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.64 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.93 -57.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.6 t -162.87 114.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.038 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.07 157.58 42.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -93.55 170.17 9.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.41 -123.27 2.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -165.75 136.76 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -85.36 116.63 23.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.56 -77.03 0.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 115.32 6.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.26 20.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.21 126.44 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.66 142.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.7 mt -107.88 132.3 55.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.0 pt-20 -178.01 139.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.599 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 6.3 mt-10 -37.82 154.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.424 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.2 pt-20 -121.91 167.37 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.8 140.95 31.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.76 161.18 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.4 m -134.72 106.07 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 6.9 tp -92.97 161.0 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 m -135.73 134.77 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.3 mt -128.62 152.79 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.5 116.12 31.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.6 ttp85 -70.89 139.08 50.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.45 -73.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 p -93.71 103.48 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.44 -145.57 39.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.7 78.74 0.38 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mt 70.09 173.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -136.64 55.47 0.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pp -138.52 175.3 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -128.5 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.8 pt -132.71 158.17 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -144.13 163.86 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.36 -116.3 4.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . 61.06 127.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' GLY . 23.3 ttpt -40.27 108.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 45.91 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.9 167.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -69.88 141.0 89.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 159.88 40.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -93.76 -32.64 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -135.1 127.6 30.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.78 -149.2 1.12 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.17 64.75 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.26 124.29 40.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 50.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.16 165.82 17.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.7 mm -96.12 112.13 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -116.18 153.92 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.422 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 11.0 mm -68.91 127.01 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.32 -30.2 12.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' HB2' ' A' ' 31' ' ' SER . 1.8 ttm180 -152.79 155.65 37.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.8 t -138.2 95.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 m -45.58 107.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -44.99 67.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.96 36.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.12 179.37 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.62 3.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.01 -56.41 22.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.25 -45.66 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -48.81 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.3 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.67 31.56 2.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.465 ' HB ' ' CD2' ' A' ' 19' ' ' LEU . 9.9 p -77.34 156.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -139.46 133.74 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 80.6 t -59.37 141.32 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 -6.36 60.51 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -68.32 133.59 48.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 39.4 tttm -91.2 106.81 18.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -65.12 133.48 51.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 102' ' ' TRP . 4.5 mt -114.62 -40.64 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -143.85 159.3 42.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 2.8 t -150.45 99.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.481 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.4 OUTLIER 75.99 8.71 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.62 -20.91 17.46 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 7.1 p -74.19 131.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.12 118.29 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.472 ' CD1' HG21 ' A' ' 73' ' ' VAL . 23.2 mt -96.57 31.78 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -92.98 115.53 28.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.91 33.65 87.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.29 140.06 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 33.8 mt-10 -63.97 161.76 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -48.22 -55.39 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.548 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.8 p80 -50.69 -51.96 44.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.548 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 2.5 mt-10 -48.48 -50.46 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.86 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.73 -53.28 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -53.52 10.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB2' ' CG1' ' A' ' 76' ' ' VAL . . . -57.74 -45.82 85.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.54 -45.63 84.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -18.18 60.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -105.24 93.54 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.481 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -179.19 134.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.1 -162.89 3.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.455 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.2 m -46.5 -81.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 105.07 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.8 t -101.25 109.46 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -89.17 125.67 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.07 115.41 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -88.03 104.81 17.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.8 m -103.94 164.96 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.599 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 10.9 t90 -117.78 124.64 48.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.411 ' CD ' ' OD1' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -156.73 160.44 39.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.422 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -88.61 145.71 25.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 t -161.9 92.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.51 159.26 23.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.28 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.1 m -61.29 103.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 m -96.53 -58.58 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 t -128.45 145.36 51.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 0.729 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -117.39 150.77 38.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.62 -140.41 6.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 p -175.72 163.31 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.53 157.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.66 -169.92 12.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.1 151.12 51.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.88 8.23 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.04 147.92 23.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -92.03 150.98 20.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mm -110.91 132.72 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -176.26 133.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.608 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 89.7 mt-10 -45.08 156.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 6.7 pt-20 -112.86 170.27 8.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.76 145.05 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -143.99 158.86 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 m -135.18 115.39 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.95 160.67 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -135.5 119.74 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.453 ' CD1' ' HE1' ' A' ' 99' ' ' MET . 5.0 mt -108.12 152.32 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -108.24 109.75 21.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.2 ttt180 -73.68 146.38 44.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 176.99 -47.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 p -114.43 94.42 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.386 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.01 -156.45 39.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -116.34 70.34 0.28 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt 68.86 -171.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.07 56.84 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pp -142.73 155.78 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 136.87 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 pt -101.93 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.449 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -140.63 111.49 7.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -161.15 23.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' HD11 ' A' ' 48' ' ' ILE . . . 125.91 148.35 7.14 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -40.56 136.08 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 0.795 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 -54.57 4.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.69 170.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 2.6 m -73.22 146.42 86.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.95 155.31 43.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.45 -33.98 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 5.0 tttt -86.84 -78.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.16 -91.26 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.42 28.44 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.92 118.97 38.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -87.76 44.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.99 167.05 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.408 HD11 ' N ' ' A' ' 35' ' ' GLY . 22.4 mm -95.58 106.7 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 41.1 m-85 -112.33 154.54 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.474 ' CG1' ' HB2' ' A' ' 68' ' ' ASP . 45.7 mm -73.44 130.01 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 33' ' ' ALA . 59.6 p -100.62 -32.37 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.59 147.93 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.419 HG22 ' CG1' ' A' ' 64' ' ' VAL . 9.5 t -135.2 109.14 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 m -46.07 109.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.79 -49.82 57.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.31 35.1 2.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.71 178.41 28.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.17 6.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . -59.25 -60.7 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.58 -41.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -63.27 -48.59 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -50.16 -38.09 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.01 29.69 1.94 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.419 ' CG1' HG22 ' A' ' 53' ' ' VAL . 4.8 p -81.97 158.78 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -142.37 155.39 45.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.34 120.07 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.86 8.64 34.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.474 ' HB2' ' CG1' ' A' ' 50' ' ' ILE . 7.9 m-20 -71.24 126.99 31.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.0 tttt -85.72 97.35 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -60.78 127.15 30.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.497 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 3.9 mt -108.31 -39.69 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -147.21 160.3 42.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.521 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 2.2 t -148.05 107.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 m120 66.76 9.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.47 -19.35 19.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.5 p -71.43 139.27 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.75 119.27 25.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 73' ' ' VAL . 25.3 mt -104.18 33.18 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.32 115.52 28.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.75 33.88 63.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.42 144.27 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.504 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 2.4 mm-40 -64.12 155.09 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -43.83 -58.12 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 10.1 p80 -47.2 -54.98 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 2.5 mt-10 -47.68 -49.6 27.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.79 -56.8 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.407 HG12 ' CD ' ' A' ' 91' ' ' ARG . 56.1 t -48.08 -57.28 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -53.31 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.68 -54.67 7.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -51.3 -52.3 46.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.407 ' CD ' HG12 ' A' ' 87' ' ' VAL . 0.3 OUTLIER -51.72 -44.93 63.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.55 85.64 1.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.445 ' O ' ' NH1' ' A' ' 23' ' ' ARG . . . -168.59 136.09 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -81.06 -155.4 12.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 34.0 m -53.22 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.26 102.91 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.7 t -97.96 121.59 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -99.12 127.88 45.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.453 ' HE1' ' CD1' ' A' ' 21' ' ' ILE . 4.0 mtm -130.6 115.62 16.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -88.57 105.86 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 26.8 m -102.18 169.63 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.608 ' CE3' ' OE1' ' A' ' 14' ' ' GLU . 11.0 t90 -125.15 125.33 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 107.971 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.473 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 5.3 mtp-105 -155.49 157.84 37.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.442 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -93.23 122.06 35.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.8 t -128.99 76.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.43 170.52 12.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.41 31.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.3 p -171.28 99.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.2 p -60.23 136.19 57.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -157.75 103.95 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.42 165.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.5 80.27 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -130.16 132.11 45.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.999 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.65 136.43 13.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.46 -138.8 9.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -156.22 119.51 2.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.25 41.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.71 143.92 49.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -76.97 151.52 35.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 mt -101.93 136.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -174.78 136.99 0.43 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.615 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -37.77 155.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 5.2 pt-20 -122.31 168.51 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -87.77 132.61 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 4.4 mt -135.33 160.58 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -126.79 141.73 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.7 mt -132.81 161.08 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 m -135.2 134.3 39.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.473 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 9.9 mt -122.51 153.68 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.58 120.39 40.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.2 OUTLIER -81.68 103.38 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -124.68 116.02 21.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 p 40.09 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.3 -132.73 10.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' HA2' ' NH1' ' A' ' 23' ' ' ARG . . . -133.35 -119.32 2.0 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.1 mt -111.89 -177.39 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.86 61.12 0.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -143.09 162.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -119.89 142.73 48.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.0 pt -114.41 164.89 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.23 136.92 3.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.87 -107.69 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.61 -129.13 10.84 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -129.15 136.88 50.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.65 -57.58 3.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.47 168.27 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.446 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 5.2 m -71.22 144.84 90.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.98 141.98 27.37 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.85 -31.95 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -163.24 131.74 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.6 165.89 0.55 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -73.97 73.31 1.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -141.37 107.22 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -75.53 56.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.22 170.92 14.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mm -96.77 112.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 5.3 m-85 -116.94 151.4 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.5 mm -68.77 126.5 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -94.5 -35.58 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -154.66 151.15 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.4 HG21 ' CG1' ' A' ' 64' ' ' VAL . 8.8 t -128.74 105.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 m -45.79 106.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -55.79 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -108.28 66.84 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.54 -173.49 13.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.468 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -34.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.47 ' CB ' HG13 ' A' ' 64' ' ' VAL . . . -63.85 -57.32 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.52 -42.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -63.7 -48.46 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -51.6 -37.1 48.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.57 32.52 2.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.47 HG13 ' CB ' ' A' ' 59' ' ' ALA . 9.8 p -81.27 151.44 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' HB2' ' NH2' ' A' ' 103' ' ' ARG . 98.1 mtt180 -141.45 132.8 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -51.75 138.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.47 -25.63 22.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.79 139.3 21.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 44.3 tttm -104.04 94.17 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.492 HD21 ' CG2' ' A' ' 73' ' ' VAL . 2.3 tt -51.33 149.53 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 100' ' ' ARG . 9.2 mt -131.53 -42.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.417 ' O ' HD21 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -137.06 154.61 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.492 ' CG2' HD21 ' A' ' 70' ' ' LEU . 2.0 t -144.71 101.29 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.28 6.44 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.19 -19.42 17.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 7.8 p -73.52 129.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.353 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.76 119.89 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.7 mt -113.6 45.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.36 105.08 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.77 34.71 88.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.7 167.56 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.45 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 5.5 mm-40 -75.83 149.59 37.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -50.72 -36.72 37.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 85' ' ' GLU . 6.5 p-80 -65.33 -44.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.597 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.527 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 4.0 mt-10 -58.91 -43.9 91.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.26 -55.81 24.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.75 -56.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -53.79 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.73 -53.78 35.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -50.61 -54.79 20.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -49.7 -43.13 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.98 91.58 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.445 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . . . -169.88 133.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -81.45 -161.61 27.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.475 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 m -44.66 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.29 106.12 5.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 93' ' ' ALA . 76.5 t -101.9 116.15 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -95.08 136.01 35.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.473 ' HE2' ' CD1' ' A' ' 21' ' ' ILE . 67.6 mtm -142.08 121.66 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' LEU . 4.6 ttt180 -88.2 107.04 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.5 m -101.08 151.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.615 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 4.8 t90 -104.43 124.42 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 23.8 ttm180 -156.89 149.42 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -82.18 131.62 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -148.19 105.7 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -108.79 151.69 17.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 69.96 5.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.763 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 110' ' ' GLY . 24.0 m -115.55 86.07 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 m 66.84 -71.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 108' ' ' SER . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -67.45 132.19 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -121.6 -57.62 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.055 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -165.06 0.14 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -56.23 168.08 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -110.31 157.02 19.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.26 -87.03 1.1 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 65.4 115.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 162.59 36.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.62 170.58 8.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -83.49 132.69 34.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mm -111.71 136.17 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -173.96 136.03 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.592 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 20.7 mt-10 -39.18 148.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 7.8 pt-20 -116.58 165.58 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 1.1 mp0 -86.05 139.74 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 1.9 mt -134.36 154.05 51.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -127.37 113.36 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.48 150.93 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -127.6 110.06 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' VAL . 4.6 mt -98.44 158.99 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -110.39 130.45 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.499 ' N ' ' CD1' ' A' ' 22' ' ' LEU . 5.2 ttt-85 -67.51 85.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -108.54 165.89 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p 41.61 -160.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -40.34 -54.85 3.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.06 -164.11 31.21 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.9 mt -50.6 176.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.75 54.16 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.1 pp -146.62 156.08 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 t -117.44 145.76 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.8 157.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -155.1 150.24 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.55 -138.26 13.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' HD12 ' A' ' 48' ' ' ILE . . . 115.5 -125.92 6.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -131.58 130.14 41.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.69 -55.52 4.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 173.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 32.5 m -68.59 135.84 90.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.2 Cg_endo -75.01 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -96.05 -34.05 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -103.61 -79.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -140.05 -144.85 4.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -75.54 71.8 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.03 110.13 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 56.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.83 159.29 14.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 35' ' ' GLY . 21.0 mm -92.51 127.37 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.9 m-85 -130.06 156.85 43.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.2 mm -69.12 132.78 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 t -101.43 -33.96 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.12 153.38 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.447 HG22 ' CG1' ' A' ' 64' ' ' VAL . 3.1 t -137.85 107.19 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -54.96 133.61 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -53.79 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.33 55.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.13 179.42 16.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.96 -40.98 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' CB ' HG23 ' A' ' 30' ' ' ILE . . . -54.11 -57.88 9.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.58 -49.54 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -54.76 -53.64 52.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.53 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.32 32.83 5.08 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.11 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.447 ' CG1' HG22 ' A' ' 53' ' ' VAL . 8.5 p -76.57 156.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.07 134.87 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.26 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 67' ' ' GLY . 72.9 t -57.01 142.36 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 66' ' ' VAL . . . 94.08 -4.25 70.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.38 127.01 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.321 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 14.0 tttm -84.79 100.61 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD13 ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -63.13 142.53 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 4.9 mt -123.49 -42.99 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -147.02 148.75 32.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 21.2 t -137.38 113.46 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER 77.48 3.6 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.322 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -21.83 14.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.95 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.68 117.64 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.9 mt -107.31 35.25 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -54.77 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.58 45.74 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.81 151.3 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.45 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 28.0 mt-10 -79.96 174.84 11.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -54.38 -60.02 3.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.543 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 6.8 p80 -48.7 -52.87 21.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.58 -42.87 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.09 -58.22 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.14 -57.27 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.72 -56.54 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.21 -56.55 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.5 mt -46.77 -55.05 8.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -49.81 -45.12 49.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.25 65.48 3.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB3' ' ND2' ' A' ' 74' ' ' ASN . . . -147.04 122.45 10.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.76 -162.12 2.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.43 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 15.1 p -47.66 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 107.23 3.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ILE . 49.5 t -101.01 143.82 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' ASN . 26.5 tt0 -120.85 138.96 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.3 mtm -139.07 124.75 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' LEU . 20.2 ttt180 -100.67 104.48 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -105.45 153.98 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.592 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 18.8 t90 -105.77 123.79 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 11.1 ttm-85 -156.84 159.59 38.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.436 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 18.7 tt0 -88.68 141.61 28.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -145.16 95.99 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -94.23 -174.69 39.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.96 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m -119.15 164.04 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -108.54 129.05 55.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -69.09 167.96 14.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -45.68 142.33 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.97 138.6 6.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.26 140.7 25.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -98.69 125.58 44.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.12 173.99 21.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.02 156.35 0.23 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 119.15 5.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.48 171.03 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.92 149.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -120.65 142.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -177.49 138.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.622 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 8.1 mt-10 -38.8 153.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' CG ' HD22 ' A' ' 17' ' ' LEU . 7.7 pt-20 -121.33 165.29 15.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.95 136.7 33.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -134.44 165.9 24.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -134.5 108.88 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tp -96.01 160.07 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 6.9 m -136.25 134.58 38.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.421 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 10.3 mt -128.06 152.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -99.88 111.05 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -91.28 121.12 32.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -125.8 -42.48 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.0 t -134.18 160.41 37.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 40.95 -102.85 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.39 -103.29 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.7 mt -130.37 -163.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.57 57.47 0.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.445 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 1.1 pt -143.19 139.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.52 139.15 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -113.1 157.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -154.45 130.77 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.78 -150.25 17.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.95 160.09 16.66 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -62.11 145.33 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -59.84 4.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 170.8 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 0.9 OUTLIER -67.14 142.17 96.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.394 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.97 156.26 43.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 49' ' ' PHE . 85.8 t80 -88.15 -33.4 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.78 115.38 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.0 -166.21 0.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.26 73.6 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.41 113.93 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -79.56 54.11 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.89 167.37 12.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.0 mm -101.13 117.3 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.514 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 7.2 m-85 -114.69 154.42 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.5 ' CG1' ' OD2' ' A' ' 68' ' ' ASP . 38.5 mm -68.36 133.14 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.51 -45.9 5.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.04 136.48 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.461 HG22 ' CG1' ' A' ' 64' ' ' VAL . 22.2 t -107.55 100.42 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.48 117.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.02 59.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -97.22 59.59 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.26 -179.33 16.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.95 -48.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.445 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -47.3 -56.02 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.41 -50.45 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -53.37 -49.56 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 20' ' ' THR . . . -53.07 -40.7 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.58 31.68 2.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.461 ' CG1' HG22 ' A' ' 53' ' ' VAL . 11.6 p -68.52 157.3 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.47 141.47 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 77.3 t -61.52 146.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.423 ' N ' HG11 ' A' ' 66' ' ' VAL . . . 94.58 -26.19 19.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.505 ' C ' ' OD1' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -40.47 129.51 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 28.6 tttm -98.44 89.58 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -48.28 132.29 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.3 mt -113.04 -41.92 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.4 mt-10 -144.73 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 10.0 t -147.89 100.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.69 10.56 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.43 -19.41 19.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.4 p -72.8 136.77 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.42 117.18 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.472 HD11 ' CG2' ' A' ' 73' ' ' VAL . 21.7 mt -97.62 -15.38 20.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.69 89.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.72 28.38 4.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.42 145.66 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.424 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 13.6 mt-10 -70.58 164.27 25.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' ALA . 3.5 t60 -46.35 -64.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.5 p80 -42.35 -54.89 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.541 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.9 mt-10 -49.84 -40.47 42.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 83' ' ' HIS . . . -66.78 -59.73 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.5 t -47.59 -57.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.42 -51.53 19.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' CB ' HD23 ' A' ' 78' ' ' LEU . . . -45.59 -47.32 14.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 33.8 mt -64.83 -49.03 72.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.37 -39.61 57.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.11 88.1 1.39 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.08 141.56 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -81.57 -170.69 44.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 96' ' ' ALA . 80.3 p -39.1 -79.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -66.31 108.09 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 68.2 t -105.97 115.57 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.72 131.29 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.6 mtm -132.86 122.77 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -87.75 105.14 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.442 ' CG1' ' CG ' ' A' ' 68' ' ' ASP . 35.8 m -102.14 155.41 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.622 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 5.8 t90 -112.33 126.81 55.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 14.1 ttm-85 -156.98 156.08 32.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.7 tm-20 -91.12 133.18 35.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 t -169.28 100.56 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.06 150.85 19.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 163.45 35.25 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.1 t -172.04 133.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.5 t -47.44 121.47 3.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -100.35 -58.48 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 t -146.74 159.97 42.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.98 -90.38 2.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.49 156.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 0.802 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -58.29 169.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.13 -78.27 1.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -170.09 150.11 3.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.22 12.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -165.09 161.78 19.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 65.87 145.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.9 mt -111.8 141.79 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -177.53 139.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.608 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 10.4 mt-10 -38.0 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 6.0 pt-20 -121.39 167.92 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -86.19 135.31 33.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -136.41 150.39 48.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -120.32 129.8 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -125.1 152.24 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -127.52 130.12 48.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.9 mt -118.59 150.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 mt -104.06 129.7 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.5 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.5 ttt180 -83.89 170.03 14.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -161.3 -52.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.67 -49.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.358 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -105.85 98.34 1.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.46 ' C ' ' CD2' ' A' ' 28' ' ' LEU . . . -35.3 97.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 56.54 168.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.43 70.48 0.44 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.449 HG23 ' CG2' ' A' ' 53' ' ' VAL . 2.7 pt -143.61 160.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -110.74 136.01 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.3 pt -107.94 166.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.55 26.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.96 -134.35 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.46 147.45 8.47 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -51.61 145.51 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 0.792 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 49.98 69.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -171.25 166.06 7.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 1.7 m -70.43 138.81 86.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 5.0 t80 -98.38 -33.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.84 -80.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.28 -147.18 5.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.32 66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -143.2 113.88 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 53.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.16 163.45 12.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mm -95.93 118.4 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 9.4 m-85 -121.32 150.95 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 25.1 mm -68.62 128.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.43 -39.48 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -151.33 149.36 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.449 ' CG2' HG23 ' A' ' 30' ' ' ILE . 11.0 t -127.17 121.77 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 m -72.09 106.71 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.15 -35.86 72.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.36 22.73 7.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.04 -178.94 21.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.466 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.01 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -50.94 -43.83 60.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.55 -43.82 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -58.74 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ARG . . . -40.64 -39.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.12 30.87 2.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.443 ' CG1' HG22 ' A' ' 53' ' ' VAL . 6.6 p -69.61 160.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -141.96 137.79 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 55.6 t -61.11 137.41 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.93 61.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.32 115.81 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 44.5 tttm -78.61 95.83 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.4 tp -52.77 146.24 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 15.3 mt -127.0 -41.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -139.66 163.77 31.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 25.2 t -150.79 98.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.01 11.55 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.98 -21.83 15.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.496 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 10.0 p -71.24 134.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.04 117.04 21.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.478 ' CD1' ' CG2' ' A' ' 73' ' ' VAL . 41.5 mt -108.1 42.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.27 110.5 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 28.8 73.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -90.61 151.96 21.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.509 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 38.1 mt-10 -71.98 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -50.02 -53.03 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 12.5 p80 -50.43 -53.66 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.557 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.4 mt-10 -45.5 -50.14 13.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.02 -56.72 17.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t -48.8 -54.66 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -50.51 37.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.414 ' HB1' ' CG1' ' A' ' 76' ' ' VAL . . . -65.19 -37.36 87.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.4 mt -62.0 -49.19 77.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 92' ' ' GLY . 3.4 ptt180 -72.5 -27.37 62.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 91' ' ' ARG . . . -82.71 75.23 2.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . . . -164.92 -176.35 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 95' ' ' THR . . . -138.37 -158.02 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.5 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -38.31 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.412 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.479 ' N ' ' HG1' ' A' ' 95' ' ' THR . . . -83.3 115.26 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.41 ' CG2' ' HB2' ' A' ' 93' ' ' ALA . 71.1 t -115.55 109.71 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -82.74 119.31 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.437 ' HE3' ' CD1' ' A' ' 30' ' ' ILE . 3.9 mtm -123.76 126.46 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.2 ttm180 -99.51 105.69 17.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -101.92 151.37 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.608 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 5.4 t90 -103.11 127.04 50.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.034 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.474 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 2.8 ttm-85 -156.71 155.25 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.429 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -93.06 137.77 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.9 t -91.85 112.53 24.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.9 -160.56 29.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.12 4.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 t -74.79 129.97 38.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.16 166.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -155.96 144.34 20.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.746 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.35 156.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.52 -100.2 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -50.07 -57.07 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.54 169.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.39 -147.15 7.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -166.48 92.86 0.77 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.22 5.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.4 126.15 20.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -57.64 129.96 44.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -105.31 134.74 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' GLU . 8.6 pt-20 -177.89 140.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.597 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 5.5 mt-10 -38.38 157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 5.9 pt-20 -126.19 168.28 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -87.01 136.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -133.91 161.04 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 m -132.21 134.5 45.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -132.08 151.8 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -126.64 133.1 51.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.48 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 7.7 mt -118.06 150.16 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -94.02 117.97 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 9.0 ttt85 -76.65 112.96 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' THR . 1.7 mm-40 -131.76 111.65 11.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' GLN . 70.1 p 36.42 71.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.41 161.68 10.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.49 -103.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.86 -179.69 5.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.51 65.59 0.42 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.521 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -144.13 151.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -116.25 142.82 46.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 pt -116.11 159.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.51 134.99 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.29 -144.59 15.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.2 -130.03 5.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 37' ' ' GLY . 1.4 ttpp -86.39 -111.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . -71.57 57.67 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.42 169.42 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -68.58 129.39 92.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 148.88 35.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -73.44 -22.16 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -166.39 130.49 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.05 167.72 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.06 76.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.79 101.67 4.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.29 57.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.87 167.17 14.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.03 118.36 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.0 m-85 -119.47 154.58 33.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.443 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 20.8 mm -69.62 125.79 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.93 -38.59 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.84 154.19 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.436 HG23 ' CG1' ' A' ' 64' ' ' VAL . 11.7 t -134.49 101.9 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -48.28 107.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.01 -51.03 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -94.67 38.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.53 -179.58 21.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -51.58 -48.65 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.26 -42.29 30.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.13 -45.07 95.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.98 64.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.68 30.2 4.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' A' ' 53' ' ' VAL . 7.2 p -74.29 147.14 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -130.12 135.03 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 53.5 t -58.2 141.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.11 -16.5 59.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.91 137.46 45.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 11.8 tttt -99.37 92.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.478 ' CD1' ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -52.12 140.8 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 12.3 mt -120.42 -42.43 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.4 tm-20 -149.75 149.12 30.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CG2' ' CD1' ' A' ' 70' ' ' LEU . 71.0 t -137.85 114.42 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER 77.45 3.21 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -19.96 18.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.471 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 11.8 p -76.29 130.55 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.94 117.2 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 73' ' ' VAL . 36.8 mt -104.7 32.67 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -87.31 79.02 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . . . 119.86 -31.7 5.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 80' ' ' GLY . . . -39.75 136.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.98 163.4 12.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -41.51 -61.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 15.2 p80 -47.84 -55.59 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.556 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 4.4 mt-10 -45.78 -43.71 13.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.82 -61.58 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.1 t -46.14 -52.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.79 -54.58 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.83 99.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.4 mt -55.71 -58.07 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -62.79 -25.76 68.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.54 92.47 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -172.6 162.78 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -104.06 -164.53 24.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -39.64 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.484 ' N ' ' HG1' ' A' ' 95' ' ' THR . . . -78.51 107.37 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 55.3 t -100.04 108.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.75 124.32 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.5 mtm -127.43 117.36 22.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LEU . 8.5 ttt180 -90.75 105.24 17.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.55 161.13 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.597 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 5.3 t90 -115.89 125.53 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.42 158.62 37.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -90.74 139.43 30.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.306 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 m -137.58 113.16 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.059 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.9 144.97 11.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 86.32 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.0 m -153.42 155.06 35.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.51 90.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 110.048 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.929 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -82.63 147.81 28.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -128.19 161.34 29.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.955 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.71 166.1 13.12 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -109.27 112.92 25.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -134.39 83.98 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.88 -90.81 2.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -140.11 139.21 20.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.784 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 178.67 6.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.12 144.49 37.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 129.88 41.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 13' ' ' GLU . 46.2 mt -115.16 140.2 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' GLU . 11.4 pt-20 -178.04 141.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.601 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 61.0 mt-10 -37.25 144.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.431 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.8 pt-20 -116.56 166.4 12.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.86 139.01 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -137.33 152.24 49.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.53 114.9 14.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.22 160.48 14.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -129.39 109.92 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.422 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 5.9 mt -99.0 155.58 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mt -115.08 141.03 48.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.439 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.0 ttt180 -94.44 151.15 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -158.99 -59.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 m -135.98 -63.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -96.53 89.94 1.12 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.465 ' C ' ' CD2' ' A' ' 28' ' ' LEU . . . -36.72 98.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 54.93 169.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.92 68.78 0.43 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.461 HD11 ' CE ' ' A' ' 99' ' ' MET . 15.2 pt -144.29 154.37 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.72 143.76 44.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.4 pt -111.22 165.02 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.51 113.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.21 -145.67 15.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 171.57 22.11 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -59.19 128.36 36.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.39 -53.69 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.29 155.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 2.0 m -66.44 139.95 96.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.94 156.2 43.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -93.2 -30.69 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.43 -138.51 3.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -73.93 70.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.37 109.9 4.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -81.31 54.46 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.28 164.93 12.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.461 1.1 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 11.0 mm -92.8 117.38 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 42.1 m-85 -119.4 152.14 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.429 HG22 ' CG2' ' A' ' 53' ' ' VAL . 28.7 mm -69.28 129.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -97.74 -29.35 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -157.99 151.13 23.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.475 HG23 ' CG1' ' A' ' 64' ' ' VAL . 4.1 t -130.9 124.61 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 m -58.66 120.96 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -48.05 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.92 38.73 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.28 -179.35 21.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -34.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' ALA . . . -55.19 -61.66 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.28 -46.0 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -60.48 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -49.63 -40.62 40.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.62 30.24 2.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.475 ' CG1' HG23 ' A' ' 53' ' ' VAL . 9.9 p -76.96 155.95 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -142.13 133.91 27.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 56.7 t -56.51 135.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.06 7.55 60.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.11 125.69 28.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.3 tttm -84.58 93.95 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.508 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -54.32 124.89 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.6 mt -103.97 -44.34 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.4 mt-10 -142.45 159.64 41.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.478 HG22 ' CD1' ' A' ' 70' ' ' LEU . 1.5 t -146.02 99.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER 75.84 11.48 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.32 -25.27 11.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 7.5 p -68.39 136.42 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.97 122.69 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.7 25.97 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.33 97.71 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.37 36.72 33.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.31 150.1 22.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 18.6 mt-10 -67.83 164.55 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -51.11 -55.34 18.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.6 p80 -50.01 -53.98 23.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.551 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.1 mt-10 -43.75 -47.81 7.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.07 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.5 t -41.37 -54.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -48.38 62.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.1 mt -67.09 -57.48 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -32.37 72.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.75 91.79 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.437 ' HB2' ' CG2' ' A' ' 97' ' ' VAL . . . -171.29 139.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.78 -165.17 32.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.439 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 19.5 p -40.61 -81.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.75 113.74 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 93' ' ' ALA . 69.7 t -109.06 120.5 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -101.04 131.36 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.461 ' CE ' HD11 ' A' ' 30' ' ' ILE . 3.8 mtm -131.38 117.62 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -88.23 105.02 17.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.2 m -102.73 162.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.601 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 9.8 t90 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.469 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 5.3 ttm-85 -157.21 157.02 33.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.45 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -89.99 138.6 31.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.2 t -58.76 99.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.81 -164.18 21.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.36 12.92 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 m -161.14 -61.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -60.36 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.23 143.4 22.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -54.23 162.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.079 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.65 -155.39 9.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.44 157.79 42.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -71.43 166.78 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.95 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.13 153.89 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -158.04 83.2 2.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -174.82 2.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.806 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.87 166.41 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.31 162.33 14.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 mm -114.31 141.96 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -176.02 136.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.546 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 66.9 mt-10 -48.29 164.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 5.0 pt-20 -123.08 167.91 13.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -86.31 133.41 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -138.25 153.24 49.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -134.91 117.32 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.54 158.85 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.9 m -125.12 118.3 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.597 ' CD1' ' CE ' ' A' ' 99' ' ' MET . 6.9 mt -108.35 153.3 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mt -116.17 140.86 48.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 15.3 ttt180 -97.35 145.38 26.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -140.79 -63.42 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.24 130.55 11.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.8 -69.02 2.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.14 -161.04 32.19 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.416 ' CD2' HG21 ' A' ' 21' ' ' ILE . 16.6 mt -71.38 -159.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -152.59 65.99 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.457 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -146.71 162.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.423 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 12.2 m -120.64 136.33 54.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.7 pt -114.67 154.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.68 153.27 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.21 -149.48 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.91 142.34 10.6 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -48.1 137.47 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.85 -48.74 2.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.7 p -76.89 173.26 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.478 ' CG2' ' HD2' ' A' ' 40' ' ' PRO . 7.2 m -69.48 145.39 95.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 141.98 27.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -81.61 -26.02 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -119.04 -170.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 99.69 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t0 44.4 42.98 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -113.61 92.54 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -77.24 57.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.12 169.49 14.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -91.18 106.29 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.0 m-85 -112.87 154.69 25.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.2 mm -71.14 126.33 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -24.43 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' N ' ' HB2' ' A' ' 31' ' ' SER . 5.5 ttm180 -163.85 155.94 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.5 t -133.31 103.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.64 108.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.66 -54.76 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.63 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.65 179.54 16.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.26 6.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.468 ' CB ' HG11 ' A' ' 64' ' ' VAL . . . -61.26 -56.04 25.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -69.28 -47.89 63.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.25 -40.87 35.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.48 31.44 1.99 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.468 HG11 ' CB ' ' A' ' 59' ' ' ALA . 10.0 p -82.08 148.57 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.42 141.58 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.7 t -62.58 137.88 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.29 7.82 63.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.83 128.11 33.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 22.8 tttm -89.91 101.23 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.493 HD23 ' CG2' ' A' ' 73' ' ' VAL . 3.9 tt -59.29 147.55 35.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 9.4 mt -129.52 -41.57 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -136.05 157.47 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.493 ' CG2' HD23 ' A' ' 70' ' ' LEU . 1.8 t -147.79 98.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.27 10.36 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -25.22 11.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 7.8 p -67.49 134.82 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.14 122.72 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.2 mt -116.32 37.73 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.77 105.51 7.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.96 80.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.86 157.66 21.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.3 168.03 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -54.65 -59.91 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 10.9 p80 -46.21 -53.25 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.542 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.2 mt-10 -44.74 -46.45 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.48 -61.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 90' ' ' LEU . 46.6 t -42.6 -60.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -49.82 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' ' CG1' ' A' ' 73' ' ' VAL . . . -64.83 -38.36 90.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 87' ' ' VAL . 12.5 mt -64.76 -60.99 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -57.72 -26.5 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.09 93.27 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -176.82 144.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.37 -164.69 39.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 1.4 m -41.96 -71.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.72 115.06 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 75.4 t -112.91 118.59 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.63 139.05 39.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.597 ' CE ' ' CD1' ' A' ' 21' ' ' ILE . 49.0 mtm -144.25 123.07 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -88.74 103.68 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.67 150.65 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.546 ' CE3' ' OE1' ' A' ' 14' ' ' GLU . 9.0 t90 -106.02 124.14 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.475 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 50.6 ttp85 -156.69 155.72 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 8.2 tp10 -85.95 141.79 29.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.2 t -97.53 103.89 15.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -128.21 167.26 20.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.83 40.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.48 96.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.2 98.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -133.32 153.01 51.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.43 152.07 29.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.38 100.87 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.08 169.36 18.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -161.1 159.75 29.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.81 89.73 1.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.68 151.24 67.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.4 9.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.02 97.31 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 157.51 33.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.0 mt -123.53 135.46 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -176.89 134.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.531 ' HB2' ' CE2' ' A' ' 102' ' ' TRP . 5.6 mt-10 -44.89 165.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.6 pt-20 -120.86 163.04 18.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.07 139.61 34.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -139.52 161.91 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 m -133.75 122.18 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -117.59 149.26 40.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.1 m -123.91 122.76 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.6 mt -106.59 152.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mt -104.94 134.73 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 7.9 ttt180 -94.22 157.15 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.0 mt-30 -166.17 99.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 24' ' ' GLN . 9.7 t 37.61 47.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.05 152.46 6.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.45 -143.57 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.588 ' CD1' ' CE ' ' A' ' 99' ' ' MET . 5.7 mt -102.86 -177.44 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.44 62.66 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.522 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -145.35 154.15 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -112.05 133.74 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 pt -109.81 159.32 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.57 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.3 -125.36 6.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.67 129.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -40.24 149.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.74 -61.22 4.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -69.7 175.47 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 0.717 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.2 m -72.21 134.69 82.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.81 20.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.42 -34.99 67.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -105.42 -171.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.81 -89.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -126.26 55.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.53 101.14 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -77.87 57.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.93 167.5 21.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.0 mm -91.71 108.11 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.5 m-85 -112.61 154.95 25.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.52 ' CG1' ' OD2' ' A' ' 68' ' ' ASP . 35.5 mm -68.32 137.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t -104.51 -40.28 6.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -153.34 143.54 22.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.401 ' CG1' HG11 ' A' ' 64' ' ' VAL . 12.5 t -128.51 99.32 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -63.74 107.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -45.76 -44.85 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.2 59.38 5.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.97 179.38 21.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -33.66 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.522 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -64.03 -59.86 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -40.08 -40.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.79 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.74 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.22 27.48 5.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.401 HG11 ' CG1' ' A' ' 53' ' ' VAL . 9.9 p -68.32 151.78 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mtt85 -140.06 131.06 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -50.95 147.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.87 -18.05 56.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.52 ' OD2' ' CG1' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.28 129.26 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 38.3 tttm -95.16 90.49 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -48.99 133.2 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 28.6 mt -113.87 -36.55 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -155.2 147.51 23.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 71.4 t -134.96 114.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.48 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 76.09 3.96 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.69 15.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.82 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 118.74 19.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 55.8 mt -102.91 35.0 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -91.57 80.58 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.08 -33.01 4.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.28 142.05 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 36.9 mt-10 -70.83 176.39 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -51.63 -62.29 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 9.1 p80 -42.04 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 6.2 mt-10 -46.51 -45.85 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -61.62 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.1 t -42.13 -55.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -43.95 -51.25 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.71 92.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.2 mt -63.0 -52.56 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -70.06 -26.68 64.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -89.85 67.86 2.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.48 ' CB ' ' ND2' ' A' ' 74' ' ' ASN . . . -156.56 151.3 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -97.27 -161.23 31.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 p -38.47 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -73.09 116.38 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 93' ' ' ALA . 76.2 t -112.1 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.6 127.91 35.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.588 ' CE ' ' CD1' ' A' ' 28' ' ' LEU . 2.5 mtt -131.8 118.63 20.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.2 ttp180 -88.42 105.18 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.483 ' CG1' ' CG ' ' A' ' 68' ' ' ASP . 35.2 m -101.75 153.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 14' ' ' GLU . 9.1 t90 -112.02 124.96 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -155.67 157.44 36.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 3.1 tm-20 -85.45 142.79 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.0 t -161.13 105.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.946 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.27 167.51 39.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.82 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -117.93 148.17 42.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.53 -59.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.71 113.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 p -96.04 167.26 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.14 142.49 19.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -156.96 167.7 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -60.73 130.91 48.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.49 -83.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.05 82.46 0.23 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.93 33.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.96 163.51 32.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -100.21 138.54 37.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -113.99 127.73 71.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -171.53 135.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.647 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.26 152.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 6.4 pt-20 -118.43 161.9 19.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.64 136.7 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' CD2' ' HG3' ' A' ' 15' ' ' GLU . 1.5 mt -132.43 163.83 27.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 105.34 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 tp -96.88 159.74 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m -134.76 121.31 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.507 ' CD1' ' CE ' ' A' ' 99' ' ' MET . 9.3 mt -110.84 151.5 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -102.53 141.36 35.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.441 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.5 ttt-85 -82.26 98.24 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -109.05 -177.57 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 p -55.49 98.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.87 40.2 1.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 42.15 -126.13 4.09 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -93.62 -168.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.92 56.05 0.45 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.49 ' CG2' ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -144.04 159.29 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -118.86 151.96 37.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.0 pt -119.53 162.29 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -162.56 133.63 4.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.3 -116.4 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . 58.69 156.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -59.13 148.34 31.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.85 -60.58 4.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.03 170.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.9 142.0 87.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 122.69 7.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.816 . . . . 0.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.18 -32.02 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -105.12 -79.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 178.3 113.24 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 3.0 t70 76.06 -58.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.03 100.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.44 164.18 15.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.434 HD11 ' CA ' ' A' ' 35' ' ' GLY . 18.7 mm -92.42 109.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 5.6 m-85 -114.48 156.95 23.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.468 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 34.1 mm -69.0 125.41 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.48 -36.78 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 153.0 25.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.447 HG23 ' CG1' ' A' ' 64' ' ' VAL . 5.0 t -131.13 100.19 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.5 m -49.08 111.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -49.84 -54.63 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.97 53.58 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.35 -177.66 14.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -39.39 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.49 ' CB ' ' CG2' ' A' ' 30' ' ' ILE . . . -58.23 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -47.99 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -50.12 -37.09 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 24.68 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.447 ' CG1' HG23 ' A' ' 53' ' ' VAL . 9.0 p -72.39 156.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -139.2 137.4 35.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 69.6 t -58.44 147.92 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.61 -24.26 28.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.61 131.36 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 45.0 tttm -91.87 98.65 11.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.497 ' CD1' ' O ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -58.26 130.54 47.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 102' ' ' TRP . 6.1 mt -112.11 -39.88 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.99 160.42 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.501 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 2.6 t -150.98 101.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.28 10.71 5.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.41 -21.76 18.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 73' ' ' VAL . 9.9 p -69.71 137.77 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.83 122.17 28.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.77 43.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.08 72.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.67 -27.6 4.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.49 142.78 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 38.5 mt-10 -72.29 171.22 12.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -48.51 -56.58 7.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.644 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.518 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.7 p80 -52.48 -53.74 41.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.518 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.9 mt-10 -43.78 -50.18 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.76 10.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -41.88 -53.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -49.37 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.09 -46.4 74.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.6 mt -53.6 -52.24 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -24.56 63.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.56 92.16 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -176.02 137.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.04 -163.3 21.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.441 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 68.4 p -38.83 -80.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -71.7 116.59 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.1 t -108.87 116.76 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -95.15 131.6 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.507 ' CE ' ' CD1' ' A' ' 21' ' ' ILE . 13.2 mtm -133.54 118.02 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.24 105.42 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.56 167.16 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.647 ' CH2' ' HB2' ' A' ' 14' ' ' GLU . 6.8 t90 -120.33 126.19 49.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.401 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 4.7 ttm-85 -157.04 155.91 31.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 8.5 tt0 -87.97 126.4 35.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.78 89.53 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.57 164.6 34.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 120.84 6.24 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -92.68 144.28 25.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -174.57 169.43 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.2 pt-20 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.606 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 1.9 mp0 -38.17 147.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.526 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.1 pt-20 -116.72 166.89 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.563 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mt-10 -84.53 136.25 33.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.2 mt -137.0 151.62 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m -126.84 127.85 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -121.08 151.94 39.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m -118.25 120.61 38.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.709 ' CG2' HD22 ' A' ' 28' ' ' LEU . 8.0 mt -106.09 155.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 22' ' ' LEU . 5.6 mt -109.91 138.92 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.709 HD22 ' CG2' ' A' ' 21' ' ' ILE . 19.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.63 63.05 0.63 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.601 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -144.09 170.44 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -129.89 140.24 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.9 pt -115.56 155.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -152.73 148.92 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.49 -122.51 5.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 137.06 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -53.4 136.54 37.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.96 -45.13 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.06 174.78 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.965 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.7 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.8 m -68.36 145.42 97.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.7 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 162.07 37.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 80.6 t80 -90.61 -36.7 14.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -125.93 116.76 22.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.98 -147.59 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -90.53 68.07 6.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.59 104.07 7.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.75 56.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.11 167.65 13.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.11 107.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.1 m-85 -113.24 155.08 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HG23 ' A' ' 53' ' ' VAL . 37.1 mm -68.61 128.87 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 47.8 t -98.49 -25.22 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -161.42 155.21 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.565 HG23 HG21 ' A' ' 50' ' ' ILE . 3.8 t -135.03 100.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 70.4 m -45.91 116.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -52.08 57.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 72.64 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -141.14 -175.89 15.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -34.31 3.93 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.782 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.93 -57.85 8.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.63 -40.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -64.43 -50.69 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.33 -39.99 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.12 26.19 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.782 HG11 ' HB1' ' A' ' 59' ' ' ALA . 8.2 p -67.99 147.08 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.12 134.75 45.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 76.8 t -58.03 139.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.55 -13.53 62.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.67 128.68 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 37.7 tttm -88.17 100.12 12.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 102' ' ' TRP . 4.4 mt -116.84 -41.94 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -141.0 159.08 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.001 ' O ' HG12 ' A' ' 76' ' ' VAL . 8.7 t -149.34 105.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.84 11.1 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.56 -22.88 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.0 p -68.64 141.43 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.04 118.46 26.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' A' ' 89' ' ' ALA . 28.1 mt -103.57 27.32 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.3 113.7 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.12 46.7 20.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.09 145.32 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.07 155.97 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -43.46 -58.18 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.511 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 25.4 p-80 -48.53 -55.55 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 3.4 mt-10 -46.41 -49.86 17.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.33 -59.22 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.4 t -45.38 -57.37 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -53.56 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.611 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -46.25 -55.23 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.534 HD21 ' HE1' ' A' ' 99' ' ' MET . 28.3 mt -49.92 -52.96 29.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -39.21 56.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.64 88.53 1.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.956 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -174.58 135.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.5 36.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 p -38.2 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.76 122.6 23.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.956 HG22 ' HB1' ' A' ' 93' ' ' ALA . 75.8 t -120.45 118.89 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -95.76 131.23 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.537 ' HE1' HD11 ' A' ' 30' ' ' ILE . 1.2 mtt -130.47 119.96 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 2.6 ttt180 -93.3 105.39 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.005 HG12 HD22 ' A' ' 70' ' ' LEU . 27.8 m -101.66 164.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.767 ' HB2' HD11 ' A' ' 71' ' ' LEU . 7.5 t90 -116.61 125.46 51.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.606 ' HB3' HD11 ' A' ' 17' ' ' LEU . 12.8 ttm-85 -156.87 156.24 32.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 1.3 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.596 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -38.58 155.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.615 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.5 pt-20 -125.01 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.684 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.8 mt-10 -85.9 138.38 32.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -140.11 151.33 45.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -129.74 116.61 19.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.348 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -105.57 159.45 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -135.66 114.69 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.43 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mt -103.24 156.01 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -105.84 100.17 9.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.8 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.51 53.53 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.712 HG22 ' HA ' ' A' ' 53' ' ' VAL . 22.2 pt -137.65 166.27 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.93 143.13 49.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 pt -113.44 156.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.15 112.28 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.54 -151.48 23.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.62 152.22 15.59 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -52.06 135.25 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.09 -56.8 4.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 111.038 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -55.42 160.37 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.453 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 61.1 m -67.69 140.46 94.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.02 -174.47 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 2.6 t80 -116.22 -32.31 5.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -104.83 -80.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.98 -151.23 6.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.08 64.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -125.1 118.59 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.84 53.28 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.0 164.82 18.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.1 126.82 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 17.3 m-85 -121.32 162.62 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 53' ' ' VAL . 12.8 mm -81.55 126.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -30.86 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -159.31 159.67 34.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.712 ' HA ' HG22 ' A' ' 30' ' ' ILE . 3.5 t -137.17 121.18 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.587 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.3 m -57.78 110.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.64 -51.89 44.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -107.34 42.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.08 -175.8 22.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.46 3.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -61.45 -58.33 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -76.42 -47.26 23.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.674 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.17 -39.85 30.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.61 29.92 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.847 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.2 p -80.63 157.1 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.95 136.31 30.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.414 HG23 ' HB ' ' A' ' 53' ' ' VAL . 54.0 t -58.4 140.61 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.38 78.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 131.99 52.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.1 tttm -92.89 97.61 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -55.49 126.45 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 102' ' ' TRP . 8.9 mt -106.67 -41.13 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.9 mt-10 -145.69 160.7 41.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.999 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.7 t -147.71 99.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.16 9.99 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.57 -22.91 14.23 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.999 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.2 p -71.54 135.48 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.8 120.5 25.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLN . 18.7 mt -97.18 -11.13 24.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.6 mt-30 -38.77 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.34 53.13 3.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -121.37 143.66 49.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 40.7 mt-10 -73.09 176.53 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.96 -52.35 65.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 9.2 p80 -53.31 -47.58 69.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.479 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 6.3 mt-10 -51.63 -40.04 59.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.05 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.6 t -50.28 -56.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -52.91 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.549 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -52.28 -59.03 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.4 mt -48.28 -48.33 35.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -55.17 -48.46 73.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.49 91.47 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.802 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -169.41 131.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.58 -167.58 14.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.449 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 22.7 m -41.19 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.5 106.57 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.802 HG22 ' HB1' ' A' ' 93' ' ' ALA . 55.8 t -100.97 108.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 124.57 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.44 ' HG2' HG22 ' A' ' 73' ' ' VAL . 6.7 mtm -130.43 115.14 16.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 11.2 ttm180 -89.0 106.65 18.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.005 HG12 HD22 ' A' ' 70' ' ' LEU . 34.3 m -102.0 169.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.742 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.6 t90 -126.75 123.97 38.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 108.03 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.58 ' HB3' HD11 ' A' ' 17' ' ' LEU . 35.4 ttm-85 -156.48 157.71 35.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.608 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 19.3 mt-10 -38.77 146.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' CG ' HD21 ' A' ' 17' ' ' LEU . 5.4 pt-20 -117.26 166.86 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.59 135.42 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 103' ' ' ARG . 2.7 mt -131.01 155.14 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 m -127.86 128.75 45.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 mt -128.69 150.75 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -124.6 135.0 52.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.5 mt -118.53 152.14 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.49 113.61 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.48 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD12 HD22 ' A' ' 90' ' ' LEU . 30.4 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.93 61.52 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.592 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -141.04 161.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -118.18 134.91 54.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.3 163.72 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.5 165.94 34.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.01 -118.79 5.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.74 132.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -42.06 131.34 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.33 48.66 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.01 165.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.059 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.62 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.0 m -67.15 143.75 97.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.97 165.83 30.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -96.23 -35.36 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -84.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.19 -138.89 4.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.59 67.33 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -142.25 118.4 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.05 46.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.65 169.07 16.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.5 mm -94.31 116.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 11.9 m-85 -122.15 152.1 40.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.543 HG21 HG23 ' A' ' 53' ' ' VAL . 28.1 mm -68.84 132.92 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -103.89 -33.55 8.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.61 145.2 19.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.543 HG23 HG21 ' A' ' 50' ' ' ILE . 6.1 t -127.37 108.5 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 67.8 m -53.4 109.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -48.87 64.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -98.32 42.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.81 -178.47 18.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.471 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.01 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -55.42 -57.35 12.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -39.96 -49.69 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -50.99 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.28 19.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.14 28.39 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.5 p -71.77 152.74 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.401 ' NH1' ' NH1' ' A' ' 103' ' ' ARG . 73.7 mtt180 -133.73 144.15 48.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.445 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 48.1 t -67.96 138.61 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.5 1.25 64.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.46 124.12 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.513 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 16.4 tttm -85.16 95.63 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.599 HD11 HG21 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -54.57 140.97 33.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 102' ' ' TRP . 6.6 mt -120.95 -42.01 2.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.5 tm-20 -149.43 145.91 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.944 ' O ' HG12 ' A' ' 76' ' ' VAL . 20.9 t -137.56 112.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.5 t30 78.19 3.61 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.7 -22.5 14.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.944 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.2 p -73.18 132.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.43 117.46 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.8 mt -105.48 36.96 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.81 108.43 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.81 29.72 70.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.29 151.67 19.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.42 168.48 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -54.74 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.408 ' ND1' ' N ' ' A' ' 85' ' ' GLU . 18.2 p80 -47.51 -49.36 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 3.1 mt-10 -49.16 -44.56 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.08 -59.89 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.8 t -47.6 -57.97 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -55.56 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -53.28 -63.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 28' ' ' LEU . 15.2 mt -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -53.98 -51.1 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.96 83.01 0.84 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.91 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -168.91 135.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.585 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -85.19 -161.49 34.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.48 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.9 m -39.91 -81.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.29 107.69 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.91 HG22 ' HB1' ' A' ' 93' ' ' ALA . 56.1 t -107.19 107.63 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -77.15 126.04 30.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.2 mtm -127.1 115.4 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.9 ttt180 -94.73 104.89 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.63 164.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.795 ' HB2' HD21 ' A' ' 71' ' ' LEU . 4.6 t90 -115.91 129.17 56.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.796 ' HB3' HD11 ' A' ' 17' ' ' LEU . 18.0 ttp85 -157.28 152.84 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.5 pt-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.619 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 17.7 mt-10 -37.17 145.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' A' ' 17' ' ' LEU . 7.5 pt-20 -114.31 166.98 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -84.2 140.6 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.861 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -136.04 163.19 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -134.55 111.73 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 4.8 tp -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 m -134.88 133.74 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 11.2 mt -125.77 152.12 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 21' ' ' ILE . 2.3 mt -106.22 133.1 51.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.793 HD12 HD22 ' A' ' 90' ' ' LEU . 21.4 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.71 68.24 0.4 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.612 HD11 ' CE ' ' A' ' 99' ' ' MET . 1.6 pt -146.33 166.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 m -121.47 136.38 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 pt -114.09 163.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.14 130.1 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.05 -150.75 18.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.35 -160.78 22.12 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 37' ' ' GLY . 16.0 ttmm -73.31 -107.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -71.92 57.75 1.39 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t -138.84 170.96 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 7.8 m -70.72 135.23 85.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.3 Cg_endo -75.0 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' HA ' ' A' ' 51' ' ' SER . 50.3 t80 -110.6 -27.75 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.03 -71.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -147.43 -146.61 4.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -71.66 74.56 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -146.24 112.21 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.81 55.2 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.05 -177.51 17.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.2 mm -114.47 119.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.8 m-85 -122.05 157.35 31.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 24.2 mm -70.72 135.68 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.414 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -101.34 -40.08 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.84 154.44 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' A' ' 30' ' ' ILE . 5.1 t -131.28 97.28 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 m -49.65 107.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.91 -37.68 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.62 37.79 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.81 179.98 16.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.96 -33.44 4.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.799 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -60.63 -54.1 49.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.98 -47.83 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -50.8 70.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.95 -41.48 46.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.45 26.21 4.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.799 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.4 p -69.15 147.74 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -123.28 145.57 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.407 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 49.0 t -70.17 141.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.38 7.22 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 124.9 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.549 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.1 tttm -83.37 106.53 15.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.883 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -64.14 134.71 55.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 102' ' ' TRP . 7.9 mt -115.61 -41.91 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.54 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.002 ' O ' HG12 ' A' ' 76' ' ' VAL . 10.9 t -148.16 103.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.31 10.79 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.74 -22.12 15.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.002 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.2 p -69.54 136.79 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.48 117.48 23.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 mt -102.87 34.69 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -90.51 103.55 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.23 46.61 56.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.07 141.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 43.0 mt-10 -65.89 155.14 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -40.0 -56.02 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.486 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 36.1 p-80 -52.05 -54.61 28.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.486 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 4.2 mt-10 -47.25 -48.33 24.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -57.37 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.4 t -47.41 -54.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.16 -51.81 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -46.67 -55.9 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.793 HD22 HD12 ' A' ' 28' ' ' LEU . 21.7 mt -49.28 -51.78 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -52.74 -35.43 56.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.56 82.33 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.883 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -170.95 161.29 6.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -120.0 -157.91 10.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -38.35 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.622 ' H ' HG23 ' A' ' 95' ' ' THR . . . -72.75 109.51 6.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.883 HG22 ' HB1' ' A' ' 93' ' ' ALA . 53.7 t -110.04 111.82 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.54 128.7 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.612 ' CE ' HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -129.46 115.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -89.29 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.883 HG12 HD22 ' A' ' 70' ' ' LEU . 27.7 m -102.03 162.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.769 ' HB2' HD11 ' A' ' 71' ' ' LEU . 10.2 t90 -114.86 125.67 53.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 108.039 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.861 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.3 ttm-85 -157.11 154.75 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.42 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 102' ' ' TRP . 5.7 mt-10 -51.02 159.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 17' ' ' LEU . 7.6 pt-20 -114.81 164.72 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -83.59 139.76 32.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -136.33 156.01 49.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -134.8 117.65 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -103.26 158.12 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 m -133.4 104.74 6.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.549 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 5.5 mt -93.96 155.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.8 mt -111.76 138.42 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' THR . 1.3 ttt-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.82 64.78 0.47 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.606 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.2 pp -143.76 176.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 17.7 m -140.46 155.08 46.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.6 164.55 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -166.35 118.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.87 -153.54 20.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . 109.73 147.62 11.88 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -40.33 130.66 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.04 -55.28 3.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -65.03 158.47 25.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.713 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.7 m -66.6 146.32 99.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.3 -35.68 76.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.12 141.74 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.87 164.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.52 73.65 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -144.49 115.2 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -78.82 54.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.38 165.3 12.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 48' ' ' ILE . 21.9 mm -90.59 109.67 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 6.0 m-85 -113.2 156.19 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 53' ' ' VAL . 12.3 mm -69.26 139.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.65 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 23.8 t -107.03 -22.19 12.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' N ' ' HB2' ' A' ' 31' ' ' SER . 3.5 ttt85 -163.55 150.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.627 HG23 HG21 ' A' ' 50' ' ' ILE . 3.0 t -132.72 103.03 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 m -49.82 107.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -52.95 -54.41 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -94.17 50.25 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.64 179.43 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.86 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.79 -60.04 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -34.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.73 -48.41 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.15 -40.47 32.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.71 30.76 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.86 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.8 p -81.98 150.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -140.63 137.62 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 67.2 t -58.88 137.57 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.65 -5.6 76.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 123.17 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . 31.0 tttm -81.25 95.52 6.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -57.13 146.13 28.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.801 HD11 ' HB2' ' A' ' 102' ' ' TRP . 7.5 mt -123.85 -40.81 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.1 tm-20 -151.03 148.96 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.926 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.8 t -138.83 114.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.4 t30 76.2 3.8 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.41 16.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.8 p -73.88 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.79 110.62 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 78' ' ' LEU . 16.8 mt -92.5 35.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -85.46 115.33 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.97 44.23 92.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.1 145.96 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.68 158.59 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -45.87 -55.83 6.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.46 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 34.1 p-80 -51.74 -52.92 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 5.2 mt-10 -47.61 -42.97 25.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.52 -61.74 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.4 t -45.05 -59.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -57.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -47.75 -57.69 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -45.1 -54.99 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -51.51 -38.58 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.27 81.01 1.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 1.101 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -161.66 134.6 6.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.32 -162.81 37.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' ARG . 3.3 p -43.36 -50.37 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.45 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 1.101 HG22 ' HB1' ' A' ' 93' ' ' ALA . 53.6 t -111.35 113.4 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -95.87 127.35 41.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.549 ' HE2' ' CD1' ' A' ' 21' ' ' ILE . 1.3 mtm -125.99 114.48 18.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.5 ttt180 -93.11 104.43 16.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.2 m -107.03 159.37 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.801 ' HB2' HD11 ' A' ' 71' ' ' LEU . 13.6 t90 -110.55 125.88 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.751 ' HB3' HD11 ' A' ' 17' ' ' LEU . 1.7 ttm-85 -155.97 156.54 34.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.592 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 4.4 mt-10 -39.16 156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 6.5 pt-20 -122.06 168.75 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG2' HD13 ' A' ' 71' ' ' LEU . 1.9 mt-10 -88.94 134.23 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 1.7 mt -133.67 153.0 52.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 m -124.18 135.84 53.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -132.31 153.32 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.4 m -126.55 121.05 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.506 HG21 HD22 ' A' ' 28' ' ' LEU . 6.2 mt -105.32 153.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -102.84 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 4.5 ttt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.506 HD22 HG21 ' A' ' 21' ' ' ILE . 13.7 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.24 50.38 0.59 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pt -136.45 149.5 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 137.17 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.6 pt -106.78 161.12 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.28 -113.87 3.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.81 140.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -50.66 134.48 24.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.68 -57.18 0.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.95 168.52 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.8 146.42 99.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 158.85 41.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -91.87 -29.35 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.84 132.31 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.42 -150.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -96.72 62.28 1.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.77 115.61 20.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.61 49.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.43 165.75 16.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.9 mm -94.48 107.96 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 7.0 m-85 -109.65 164.11 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.434 HG21 ' CG2' ' A' ' 53' ' ' VAL . 14.6 mm -83.31 121.3 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -48.22 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.51 155.45 46.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 30' ' ' ILE . 15.4 t -133.26 106.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.9 m -52.15 110.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -53.84 17.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.41 83.62 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.02 -174.77 28.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.93 -38.46 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.561 ' CB ' HG23 ' A' ' 30' ' ' ILE . . . -58.79 -67.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HA ' HG12 ' A' ' 64' ' ' VAL . . . -55.03 -20.88 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 10.2 ttt85 -83.34 -10.01 58.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.3 -29.69 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.55 31.71 1.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 60' ' ' ALA . 6.0 p -76.83 157.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -141.83 135.39 29.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.74 137.73 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.21 -11.77 65.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -53.6 128.06 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 33.5 tttm -94.0 94.85 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.572 HD21 ' CG2' ' A' ' 73' ' ' VAL . 5.6 tp -50.15 147.12 4.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.75 HD21 ' HB2' ' A' ' 102' ' ' TRP . 17.2 mt -127.18 -41.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -142.18 166.35 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.019 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.1 t -152.69 98.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.34 10.46 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.59 21.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.9 p -79.29 128.5 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.71 115.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.534 HD12 ' CG2' ' A' ' 73' ' ' VAL . 38.2 mt -105.66 41.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.91 100.52 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.17 28.28 53.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.88 146.58 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 3.6 mt-10 -64.64 158.79 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.38 -58.52 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 82' ' ' GLU . 35.3 p-80 -44.26 -54.92 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 3.2 mt-10 -48.46 -49.66 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.17 -58.47 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.419 HG12 ' CD ' ' A' ' 91' ' ' ARG . 39.1 t -45.46 -58.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -50.48 57.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -48.05 -43.76 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 28' ' ' LEU . 50.1 mt -68.32 -48.76 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.419 ' CD ' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -52.22 -42.12 63.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -86.22 85.14 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.892 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -173.05 133.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 0.801 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -80.41 -163.73 29.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 3.5 m -38.86 -82.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 110.35 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.892 HG22 ' HB1' ' A' ' 93' ' ' ALA . 43.3 t -109.08 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.51 128.06 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 73' ' ' VAL . 7.1 mtm -133.64 120.74 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LEU . 1.4 ttt85 -92.84 105.72 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.0 m -102.16 152.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.75 ' HB2' HD21 ' A' ' 71' ' ' LEU . 4.2 t90 -104.4 127.76 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.43 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.36 157.64 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 2.1 tt0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.1 pt-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 9.0 mp0 -38.19 149.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.581 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.7 pt-20 -120.5 167.44 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.561 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -85.04 139.34 31.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.581 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -137.94 154.49 49.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.437 HG22 ' HG2' ' A' ' 98' ' ' GLN . 1.4 m -127.12 105.63 8.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -93.51 163.05 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 m -135.51 123.9 23.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.602 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 8.9 mt -115.82 151.65 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 22' ' ' LEU . 3.4 mt -103.65 138.33 40.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HE ' HG21 ' A' ' 97' ' ' VAL . 5.6 mtt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.868 HD21 HG11 ' A' ' 97' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.27 57.67 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.923 HG22 HG22 ' A' ' 53' ' ' VAL . 1.3 pp -134.09 161.64 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.75 152.31 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 pt -114.82 156.26 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -155.9 121.15 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.71 -131.47 5.77 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.11 138.9 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -45.06 136.27 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.74 -58.7 1.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -70.11 168.26 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.654 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.3 m -66.79 144.87 98.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.95 146.31 32.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.784 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD2' ' HG3' ' A' ' 42' ' ' LYS . 88.4 t80 -77.71 -38.11 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.413 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 4.3 mtpt -127.0 120.76 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.1 -153.64 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -85.64 69.25 10.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.11 108.72 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.3 54.19 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.18 162.72 14.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.7 mm -90.07 112.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.5 m-85 -115.8 155.04 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.459 HG21 HG23 ' A' ' 53' ' ' VAL . 30.7 mm -68.54 130.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -92.82 -43.15 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.38 158.39 43.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.923 HG22 HG22 ' A' ' 30' ' ' ILE . 2.3 t -135.73 100.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -46.09 139.56 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.01 -48.68 34.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 4.9 pt-20 -101.06 51.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.55 175.92 16.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.17 6.44 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.85 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -64.54 -56.36 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.99 -42.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -65.38 -46.79 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -52.05 -42.24 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.47 29.86 2.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.85 HG11 ' HB1' ' A' ' 59' ' ' ALA . 7.1 p -75.79 158.46 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.402 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.2 mpt_? -141.52 141.16 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.15 142.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.44 -19.04 56.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' OD1' ' NE ' ' A' ' 103' ' ' ARG . 8.7 m-20 -48.45 119.03 2.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 26.1 tttm -79.22 96.26 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.722 HD21 ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -58.58 136.66 57.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.753 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.1 mt -116.5 -40.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -151.36 146.57 26.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.934 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.5 t -134.59 114.35 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.5 t30 77.54 3.51 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.85 -21.97 15.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.934 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.9 p -73.74 131.26 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.97 117.06 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.77 30.84 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -72.34 106.18 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.24 43.34 99.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.26 150.45 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.45 163.12 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -50.28 -60.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 28.6 p-80 -46.38 -53.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 3.6 mt-10 -45.77 -47.12 15.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.68 -61.67 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.3 t -43.5 -60.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -57.45 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -48.57 -61.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -41.27 -54.75 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -50.6 -44.54 57.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.96 91.05 1.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.642 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -166.11 132.03 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.2 -164.8 18.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 p -39.2 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.451 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.47 109.88 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.868 HG11 HD21 ' A' ' 28' ' ' LEU . 96.7 t -94.0 114.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' A' ' 18' ' ' THR . 10.0 tt0 -89.11 130.68 35.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.722 ' SD ' HD21 ' A' ' 70' ' ' LEU . 2.9 mtm -131.39 116.15 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.435 ' O ' HD13 ' A' ' 70' ' ' LEU . 2.4 ttp180 -88.4 104.64 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.522 HG12 HD22 ' A' ' 70' ' ' LEU . 31.5 m -102.61 162.25 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.753 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.0 t90 -116.62 125.11 51.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 107.964 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.467 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -157.18 158.51 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 10.5 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.2 pt-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.61 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 7.6 mp0 -38.18 150.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.57 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.8 pt-20 -121.72 165.33 15.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.1 mt-10 -84.87 137.74 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -136.19 155.99 49.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 m -134.38 116.05 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -104.29 161.12 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -135.53 105.9 6.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG1' ' CB ' ' A' ' 62' ' ' ALA . 3.7 mt -98.61 155.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.39 118.69 37.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.541 HD21 HG11 ' A' ' 97' ' ' VAL . 5.8 mp . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.31 58.56 0.39 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.737 HG22 HG22 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -135.46 160.56 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.29 135.59 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.0 pt -105.34 152.57 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.54 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.7 -134.16 6.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.48 146.36 13.92 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 6.9 ttpt -49.77 161.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 0.725 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . 48.15 51.36 20.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.68 173.59 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.724 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.4 m -73.71 145.69 84.75 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.97 179.35 6.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -117.61 -33.92 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.06 -69.5 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.8 -176.76 14.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 78.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.47 132.3 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.4 49.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.64 162.69 12.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -98.87 114.55 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.51 151.87 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.566 HG21 ' CG2' ' A' ' 53' ' ' VAL . 10.2 mm -73.7 129.46 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.61 -44.1 8.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -145.94 150.97 37.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 30' ' ' ILE . 14.4 t -136.83 109.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -63.93 108.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.32 -27.98 62.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -103.47 27.92 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.82 179.46 19.64 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -65.06 -57.1 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.83 -38.46 7.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -67.68 -50.58 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.6 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -47.86 -36.39 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.67 29.71 2.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.674 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.1 p -78.1 157.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.1 140.12 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 52.9 t -63.8 136.12 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.68 -12.19 67.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.29 132.82 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -93.28 100.07 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.59 HD21 ' CG2' ' A' ' 73' ' ' VAL . 5.3 tp -55.44 143.16 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.774 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.0 mt -123.87 -40.68 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.43 166.27 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.025 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 t -150.98 99.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.7 OUTLIER 73.32 6.65 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.15 -10.24 22.59 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.025 HG12 ' O ' ' A' ' 73' ' ' VAL . 8.7 p -83.71 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.1 115.55 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 81' ' ' ALA . 21.7 mt -99.63 -16.95 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -36.18 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.14 43.38 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 78' ' ' LEU . . . -107.82 155.17 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.471 ' CG ' ' HE3' ' A' ' 36' ' ' LYS . 22.9 mt-10 -81.18 166.12 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -52.13 -52.21 53.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.418 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 38.7 p-80 -53.71 -50.35 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 7.0 mt-10 -50.18 -47.75 54.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.79 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.16 -56.79 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -54.76 27.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.758 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -44.87 -51.48 9.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 mt -52.32 -51.96 55.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.41 -52.0 63.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.32 85.31 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.425 ' HB1' ' OD1' ' A' ' 74' ' ' ASN . . . -165.68 131.2 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.3 -170.31 0.74 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 67.2 m -43.12 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.61 113.23 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.541 HG11 HD21 ' A' ' 28' ' ' LEU . 48.3 t -95.17 106.58 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -84.46 125.79 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.6 mtm -129.58 121.18 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.441 ' O ' HD12 ' A' ' 70' ' ' LEU . 4.3 ttp180 -95.11 104.56 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.46 157.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.774 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.4 t90 -111.87 126.36 55.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.028 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.708 ' HB3' HD11 ' A' ' 17' ' ' LEU . 17.4 ttm-85 -157.2 155.21 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.611 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.91 157.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.578 ' HG3' HD21 ' A' ' 17' ' ' LEU . 8.2 pt-20 -122.83 165.61 16.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.506 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.2 mt-10 -84.46 139.13 32.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.578 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -136.8 163.18 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 98' ' ' GLN . 3.7 m -134.96 112.03 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 9.3 tp -100.15 160.63 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -134.87 121.34 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.6 mt -112.87 152.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 95' ' ' THR . 5.8 mt -111.66 139.87 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.787 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.09 68.82 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.692 HG22 HG22 ' A' ' 53' ' ' VAL . 8.9 pt -146.0 169.07 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.2 m -124.11 149.46 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 pt -122.17 166.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.69 127.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.59 -132.49 7.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.98 150.95 25.8 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -44.38 148.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.98 55.79 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.13 168.73 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.933 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.606 HG23 ' HD2' ' A' ' 40' ' ' PRO . 8.7 m -73.8 143.76 81.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.06 153.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 89.2 t80 -88.7 -32.13 18.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -123.89 -78.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -118.53 -178.82 17.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -64.62 78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.2 m-20 -137.22 116.48 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.48 54.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.51 175.89 18.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.6 mm -99.88 125.06 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -120.54 151.78 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.568 ' CG2' HG23 ' A' ' 53' ' ' VAL . 30.3 mm -68.53 124.63 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.58 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 30.6 t -92.43 -37.0 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -154.43 152.7 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 30' ' ' ILE . 3.3 t -137.47 95.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -51.0 108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.01 -21.51 31.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.39 28.65 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.62 -178.29 19.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.06 2.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.767 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -57.89 -53.65 55.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.44 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.34 35.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.51 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.93 3.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.767 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.6 p -82.42 154.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -135.68 139.5 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.31 144.84 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.33 -22.83 38.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 134.63 24.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 46.4 tttm -95.89 101.76 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.53 HD21 ' CG2' ' A' ' 73' ' ' VAL . 7.0 tp -56.59 147.15 23.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 102' ' ' TRP . 11.8 mt -127.45 -42.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.6 mt-10 -139.89 170.49 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.013 ' O ' HG12 ' A' ' 76' ' ' VAL . 6.6 t -152.82 100.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.51 10.92 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.66 -16.84 21.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.013 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.4 p -74.86 132.99 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.17 116.41 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 73' ' ' VAL . 23.5 mt -99.14 -4.21 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -76.26 91.9 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.31 -32.08 3.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -68.02 160.75 28.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 37.6 mt-10 -80.69 -177.1 6.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -61.53 -55.44 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.623 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 82' ' ' GLU . 30.3 p-80 -50.93 -49.52 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.619 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 3.1 mt-10 -49.35 -42.75 42.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -60.43 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.7 t -40.35 -59.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.94 -60.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -43.05 -58.67 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -44.6 -55.92 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -50.45 -51.87 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.73 87.75 0.74 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.78 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -174.69 128.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.16 -166.78 2.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.473 HG22 HD22 ' A' ' 22' ' ' LEU . 1.5 m -40.75 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.87 118.18 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.78 HG22 ' HB1' ' A' ' 93' ' ' ALA . 54.4 t -111.56 112.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 18' ' ' THR . 5.4 tt0 -89.15 123.04 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.632 ' HE1' HD11 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -125.01 127.02 46.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -97.38 104.41 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.74 154.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.76 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.8 t90 -106.8 125.98 51.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.466 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.59 157.44 35.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.598 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 6.3 mt-10 -37.82 154.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.578 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.2 pt-20 -121.91 167.37 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -83.8 140.95 31.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.578 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -137.76 161.18 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.481 HG22 ' HG2' ' A' ' 98' ' ' GLN . 1.4 m -134.72 106.07 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 6.9 tp -92.97 161.0 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 m -135.73 134.77 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.3 mt -128.62 152.79 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.5 116.12 31.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.6 ttp85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -136.64 55.47 0.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.723 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.1 pp -138.52 175.3 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -128.5 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.43 ' HB ' HG23 ' A' ' 48' ' ' ILE . 38.8 pt -132.71 158.17 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -144.13 163.86 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.36 -116.3 4.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . 61.06 127.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' GLY . 23.3 ttpt -40.27 108.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 45.91 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.9 167.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.532 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.1 m -69.88 141.0 89.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.532 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 159.88 40.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -93.76 -32.64 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -135.1 127.6 30.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.78 -149.2 1.12 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.17 64.75 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.26 124.29 40.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 50.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.16 165.82 17.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 48' ' ' ILE . 26.7 mm -96.12 112.13 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -116.18 153.92 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.433 HG21 HG23 ' A' ' 53' ' ' VAL . 11.0 mm -68.91 127.01 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.32 -30.2 12.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' HB2' ' A' ' 31' ' ' SER . 1.8 ttm180 -152.79 155.65 37.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.723 ' HA ' HG22 ' A' ' 30' ' ' ILE . 5.8 t -138.2 95.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 m -45.58 107.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -44.99 67.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.96 36.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.12 179.37 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.62 3.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -58.01 -56.41 22.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.25 -45.66 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -48.81 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.3 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.67 31.56 2.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -77.34 156.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -139.46 133.74 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 80.6 t -59.37 141.32 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 -6.36 60.51 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.411 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -68.32 133.59 48.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 39.4 tttm -91.2 106.81 18.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.055 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.12 133.48 51.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.769 HD21 ' HB2' ' A' ' 102' ' ' TRP . 4.5 mt -114.62 -40.64 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -143.85 159.3 42.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.019 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 t -150.45 99.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.471 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.8 OUTLIER 75.99 8.71 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.62 -20.91 17.46 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.1 p -74.19 131.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.12 118.29 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.2 mt -96.57 31.78 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -92.98 115.53 28.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.91 33.65 87.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.29 140.06 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.97 161.76 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -48.22 -55.39 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 26.5 p-80 -50.69 -51.96 44.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 2.5 mt-10 -48.48 -50.46 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.86 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.73 -53.28 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -53.52 10.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.62 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -57.74 -45.82 85.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.54 -45.63 84.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -18.18 60.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 93' ' ' ALA . . . -105.24 93.54 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.524 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -179.19 134.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.1 -162.89 3.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.2 m -46.5 -81.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 105.07 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.524 HG22 ' HB1' ' A' ' 93' ' ' ALA . 54.8 t -101.25 109.46 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.481 ' HG2' HG22 ' A' ' 18' ' ' THR . 6.1 tt0 -89.17 125.67 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.07 115.41 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 6.9 ttt180 -88.03 104.81 17.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.055 HG12 HD22 ' A' ' 70' ' ' LEU . 29.8 m -103.94 164.96 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.769 ' HB2' HD21 ' A' ' 71' ' ' LEU . 10.9 t90 -117.78 124.64 48.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.516 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.73 160.44 39.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.608 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 89.7 mt-10 -45.08 156.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.637 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.7 pt-20 -112.86 170.27 8.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.881 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -86.76 145.05 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.881 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -143.99 158.86 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 98' ' ' GLN . 7.5 m -135.18 115.39 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -100.95 160.67 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -135.5 119.74 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.512 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 5.0 mt -108.12 152.32 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -108.24 109.75 21.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.2 ttt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.07 56.84 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pp -142.73 155.78 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 136.87 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 pt -101.93 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 51' ' ' SER . . . -140.63 111.49 7.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -161.15 23.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.91 148.35 7.14 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -40.56 136.08 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 0.795 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 -54.57 4.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.69 170.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.749 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.6 m -73.22 146.42 86.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.749 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.95 155.31 43.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.45 -33.98 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 5.0 tttt -86.84 -78.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.16 -91.26 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.42 28.44 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.92 118.97 38.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -87.76 44.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.99 167.05 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 48' ' ' ILE . 22.4 mm -95.58 106.7 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 41.1 m-85 -112.33 154.54 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.573 HG21 ' CG2' ' A' ' 53' ' ' VAL . 45.7 mm -73.44 130.01 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 59.6 p -100.62 -32.37 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.59 147.93 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.593 HG22 HG22 ' A' ' 30' ' ' ILE . 9.5 t -135.2 109.14 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 m -46.07 109.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.79 -49.82 57.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.31 35.1 2.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.71 178.41 28.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.17 6.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -59.25 -60.7 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.58 -41.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -63.27 -48.59 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -50.16 -38.09 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.01 29.69 1.94 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.69 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.8 p -81.97 158.78 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -142.37 155.39 45.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.34 120.07 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.86 8.64 34.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.475 ' HB2' ' CG1' ' A' ' 50' ' ' ILE . 7.9 m-20 -71.24 126.99 31.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.0 tttt -85.72 97.35 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -60.78 127.15 30.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 102' ' ' TRP . 3.9 mt -108.31 -39.69 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -147.21 160.3 42.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.052 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.2 t -148.05 107.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 m120 66.76 9.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.47 -19.35 19.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.052 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.5 p -71.43 139.27 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.75 119.27 25.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.516 HD22 ' HA ' ' A' ' 86' ' ' ALA . 25.3 mt -104.18 33.18 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.32 115.52 28.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.75 33.88 63.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.42 144.27 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 2.4 mm-40 -64.12 155.09 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -43.83 -58.12 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.499 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 29.7 p-80 -47.2 -54.98 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 2.5 mt-10 -47.68 -49.6 27.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.516 ' HA ' HD22 ' A' ' 78' ' ' LEU . . . -64.79 -56.8 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.1 t -48.08 -57.28 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -53.31 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 1.025 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -45.68 -54.67 7.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -51.3 -52.3 46.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.72 -44.93 63.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.55 85.64 1.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.651 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -168.59 136.09 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -81.06 -155.4 12.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 34.0 m -53.22 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.26 102.91 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.651 HG22 ' HB1' ' A' ' 93' ' ' ALA . 94.7 t -97.96 121.59 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 18' ' ' THR . 2.2 tt0 -99.12 127.88 45.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.515 ' HE1' HD11 ' A' ' 30' ' ' ILE . 4.0 mtm -130.6 115.62 16.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 2.3 ttm180 -88.57 105.86 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.917 HG12 HD22 ' A' ' 70' ' ' LEU . 26.8 m -102.18 169.63 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.78 ' HB2' HD11 ' A' ' 71' ' ' LEU . 11.0 t90 -125.15 125.33 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 107.971 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.832 ' HB2' HD11 ' A' ' 17' ' ' LEU . 5.3 mtp-105 -155.49 157.84 37.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.615 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -37.77 155.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 5.2 pt-20 -122.31 168.51 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 mt-10 -87.77 132.61 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 103' ' ' ARG . 4.4 mt -135.33 160.58 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -126.79 141.73 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.7 mt -132.81 161.08 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 m -135.2 134.3 39.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 28' ' ' LEU . 9.9 mt -122.51 153.68 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.58 120.39 40.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 21' ' ' ILE . 43.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.86 61.12 0.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.548 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -143.09 162.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -119.89 142.73 48.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.0 pt -114.41 164.89 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.23 136.92 3.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.87 -107.69 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.61 -129.13 10.84 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -129.15 136.88 50.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.65 -57.58 3.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.47 168.27 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.645 HG23 ' HD2' ' A' ' 40' ' ' PRO . 5.2 m -71.22 144.84 90.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.98 141.98 27.37 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.85 -31.95 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' HD3' ' CE2' ' A' ' 49' ' ' PHE . 12.0 ptmt -163.24 131.74 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.6 165.89 0.55 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -73.97 73.31 1.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -141.37 107.22 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -75.53 56.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.22 170.92 14.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mm -96.77 112.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 5.3 m-85 -116.94 151.4 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.446 HG21 HG23 ' A' ' 53' ' ' VAL . 39.5 mm -68.77 126.5 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -94.5 -35.58 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -154.66 151.15 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.446 HG23 HG21 ' A' ' 50' ' ' ILE . 8.8 t -128.74 105.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 m -45.79 106.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -55.79 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -108.28 66.84 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.54 -173.49 13.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -34.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.85 -57.32 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.52 -42.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -63.7 -48.46 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -51.6 -37.1 48.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.57 32.52 2.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.855 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.8 p -81.27 151.44 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HB2' ' NH2' ' A' ' 103' ' ' ARG . 98.1 mtt180 -141.45 132.8 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -51.75 138.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.47 -25.63 22.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.556 ' OD2' HG21 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -51.79 139.3 21.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 44.3 tttm -104.04 94.17 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.083 HD21 HG23 ' A' ' 73' ' ' VAL . 2.3 tt -51.33 149.53 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.2 mt -131.53 -42.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.404 ' OE2' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -137.06 154.61 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.083 HG23 HD21 ' A' ' 70' ' ' LEU . 2.0 t -144.71 101.29 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.28 6.44 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.19 -19.42 17.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.021 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.8 p -73.52 129.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.353 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HA ' ' OE2' ' A' ' 72' ' ' GLU . . . -75.76 119.89 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 86' ' ' ALA . 29.7 mt -113.6 45.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.36 105.08 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.77 34.71 88.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.7 167.56 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 5.5 mm-40 -75.83 149.59 37.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -50.72 -36.72 37.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 82' ' ' GLU . 15.4 p80 -65.33 -44.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.597 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.482 ' CG ' ' CE1' ' A' ' 84' ' ' HIS . 4.0 mt-10 -58.91 -43.9 91.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -62.26 -55.81 24.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.75 -56.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -53.79 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.585 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -51.73 -53.78 35.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -50.61 -54.79 20.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -49.7 -43.13 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.98 91.58 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.954 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -169.88 133.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -81.45 -161.61 27.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.462 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 m -44.66 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.29 106.12 5.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.954 HG22 ' HB1' ' A' ' 93' ' ' ALA . 76.5 t -101.9 116.15 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -95.08 136.01 35.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.768 ' HG2' HG22 ' A' ' 73' ' ' VAL . 67.6 mtm -142.08 121.66 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' LEU . 4.6 ttt180 -88.2 107.04 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.556 HG21 ' OD2' ' A' ' 68' ' ' ASP . 33.5 m -101.08 151.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.767 ' HB2' HD11 ' A' ' 71' ' ' LEU . 4.8 t90 -104.43 124.42 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.503 ' HB3' HD12 ' A' ' 17' ' ' LEU . 23.8 ttm180 -156.89 149.42 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 103' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.593 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 20.7 mt-10 -39.18 148.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 7.8 pt-20 -116.58 165.58 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 1.1 mp0 -86.05 139.74 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.9 mt -134.36 154.05 51.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -127.37 113.36 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.48 150.93 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 5.9 m -127.6 110.06 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' VAL . 4.6 mt -98.44 158.99 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.021 HD12 ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -110.39 130.45 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 1.021 ' N ' HD12 ' A' ' 22' ' ' LEU . 5.2 ttt-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.549 ' CD1' HD22 ' A' ' 90' ' ' LEU . 54.9 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.75 54.16 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.746 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pp -146.62 156.08 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 t -117.44 145.76 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.8 157.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -155.1 150.24 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.55 -138.26 13.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.5 -125.92 6.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -131.58 130.14 41.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.69 -55.52 4.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 173.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 32.5 m -68.59 135.84 90.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.2 Cg_endo -75.01 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -96.05 -34.05 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -103.61 -79.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -140.05 -144.85 4.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -75.54 71.8 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.03 110.13 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 56.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.83 159.29 14.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mm -92.51 127.37 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.9 m-85 -130.06 156.85 43.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.53 HG21 HG23 ' A' ' 53' ' ' VAL . 19.2 mm -69.12 132.78 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 t -101.43 -33.96 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.12 153.38 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.746 HG22 HG22 ' A' ' 30' ' ' ILE . 3.1 t -137.85 107.19 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -54.96 133.61 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -53.79 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.33 55.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.13 179.42 16.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.96 -40.98 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.812 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -54.11 -57.88 9.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.58 -49.54 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -54.76 -53.64 52.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.53 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.32 32.83 5.08 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.11 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.812 HG11 ' HB1' ' A' ' 59' ' ' ALA . 8.5 p -76.57 156.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.07 134.87 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.26 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.01 142.36 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.08 -4.25 70.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.38 127.01 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.321 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 14.0 tttm -84.79 100.61 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.513 HD11 ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -63.13 142.53 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.865 HD11 ' HB2' ' A' ' 102' ' ' TRP . 4.9 mt -123.49 -42.99 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -147.02 148.75 32.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.977 ' O ' HG12 ' A' ' 76' ' ' VAL . 21.2 t -137.38 113.46 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.5 t30 77.48 3.6 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -21.83 14.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.95 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.68 117.64 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 86' ' ' ALA . 43.9 mt -107.31 35.25 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -54.77 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.58 45.74 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.81 151.3 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 28.0 mt-10 -79.96 174.84 11.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -54.38 -60.02 3.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.543 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 6.8 p80 -48.7 -52.87 21.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.58 -42.87 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -65.09 -58.22 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.14 -57.27 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.72 -56.54 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.777 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -53.21 -56.55 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.549 HD22 ' CD1' ' A' ' 28' ' ' LEU . 13.5 mt -46.77 -55.05 8.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -49.81 -45.12 49.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.25 65.48 3.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -147.04 122.45 10.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.76 -162.12 2.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.43 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 15.1 p -47.66 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 107.23 3.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ILE . 49.5 t -101.01 143.82 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' ASN . 26.5 tt0 -120.85 138.96 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.611 ' HE1' HD11 ' A' ' 30' ' ' ILE . 2.3 mtm -139.07 124.75 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' LEU . 20.2 ttt180 -100.67 104.48 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -105.45 153.98 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.865 ' HB2' HD11 ' A' ' 71' ' ' LEU . 18.8 t90 -105.77 123.79 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 17' ' ' LEU . 11.1 ttm-85 -156.84 159.59 38.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.437 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 18.7 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.621 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 8.1 mt-10 -38.8 153.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.568 ' CG ' HD21 ' A' ' 17' ' ' LEU . 7.7 pt-20 -121.33 165.29 15.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.95 136.7 33.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -134.44 165.9 24.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -134.5 108.88 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tp -96.01 160.07 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 6.9 m -136.25 134.58 38.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.665 HG21 HD22 ' A' ' 28' ' ' LEU . 10.3 mt -128.06 152.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.88 111.05 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.665 HD22 HG21 ' A' ' 21' ' ' ILE . 18.7 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.57 57.47 0.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.558 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.1 pt -143.19 139.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.52 139.15 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -113.1 157.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -154.45 130.77 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.78 -150.25 17.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.95 160.09 16.66 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -62.11 145.33 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -59.84 4.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 170.8 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 0.9 OUTLIER -67.14 142.17 96.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.394 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.97 156.26 43.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 49' ' ' PHE . 85.8 t80 -88.15 -33.4 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.78 115.38 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.0 -166.21 0.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.26 73.6 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.41 113.93 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -79.56 54.11 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.89 167.37 12.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.0 mm -101.13 117.3 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.514 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 7.2 m-85 -114.69 154.42 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.505 HD11 ' OD2' ' A' ' 68' ' ' ASP . 38.5 mm -68.36 133.14 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.51 -45.9 5.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.04 136.48 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.479 ' HA ' HG22 ' A' ' 30' ' ' ILE . 22.2 t -107.55 100.42 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.48 117.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.02 59.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -97.22 59.59 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.26 -179.33 16.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.95 -48.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -47.3 -56.02 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.41 -50.45 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -53.37 -49.56 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 20' ' ' THR . . . -53.07 -40.7 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.58 31.68 2.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.69 HG11 ' HB1' ' A' ' 59' ' ' ALA . 11.6 p -68.52 157.3 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.47 141.47 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 77.3 t -61.52 146.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.58 -26.19 19.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.505 ' OD2' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -40.47 129.51 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 28.6 tttm -98.44 89.58 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.812 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -48.28 132.29 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 102' ' ' TRP . 20.3 mt -113.04 -41.92 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.4 mt-10 -144.73 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.986 ' O ' HG12 ' A' ' 76' ' ' VAL . 10.0 t -147.89 100.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.69 10.56 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.43 -19.41 19.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.4 p -72.8 136.77 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.42 117.18 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.442 HD11 HG21 ' A' ' 73' ' ' VAL . 21.7 mt -97.62 -15.38 20.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.69 89.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.72 28.38 4.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.42 145.66 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 13.6 mt-10 -70.58 164.27 25.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' ALA . 3.5 t60 -46.35 -64.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.5 p80 -42.35 -54.89 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.541 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.9 mt-10 -49.84 -40.47 42.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 89' ' ' ALA . . . -66.78 -59.73 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 91' ' ' ARG . 72.5 t -47.59 -57.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.42 -51.53 19.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -45.59 -47.32 14.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.578 HD22 HD12 ' A' ' 28' ' ' LEU . 33.8 mt -64.83 -49.03 72.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.427 ' HD2' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -51.37 -39.61 57.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.11 88.1 1.39 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.648 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -173.08 141.56 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.414 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -81.57 -170.69 44.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 96' ' ' ALA . 80.3 p -39.1 -79.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.436 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -66.31 108.09 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.648 HG22 ' HB1' ' A' ' 93' ' ' ALA . 68.2 t -105.97 115.57 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.72 131.29 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.48 ' SD ' HD21 ' A' ' 90' ' ' LEU . 5.6 mtm -132.86 122.77 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 3.2 ttm180 -87.75 105.14 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.812 HG12 HD22 ' A' ' 70' ' ' LEU . 35.8 m -102.14 155.41 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.721 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.8 t90 -112.33 126.81 55.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.753 ' HB3' HD11 ' A' ' 17' ' ' LEU . 14.1 ttm-85 -156.98 156.08 32.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 10.4 mt-10 -38.0 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.0 pt-20 -121.39 167.92 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.3 mt-10 -86.19 135.31 33.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -136.41 150.39 48.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -120.32 129.8 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -125.1 152.24 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -127.52 130.12 48.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.9 mt -118.59 150.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 21' ' ' ILE . 1.5 mt -104.06 129.7 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.5 ttt180 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.825 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.43 70.48 0.44 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.684 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.7 pt -143.61 160.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -110.74 136.01 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 90' ' ' LEU . 44.3 pt -107.94 166.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.55 26.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.96 -134.35 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.46 147.45 8.47 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -51.61 145.51 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 0.792 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 49.98 69.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -171.25 166.06 7.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.451 HG23 ' HD2' ' A' ' 40' ' ' PRO . 1.7 m -70.43 138.81 86.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 5.0 t80 -98.38 -33.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.84 -80.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.28 -147.18 5.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.32 66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -143.2 113.88 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 53.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.16 163.45 12.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mm -95.93 118.4 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 9.4 m-85 -121.32 150.95 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.541 HG21 HG23 ' A' ' 53' ' ' VAL . 25.1 mm -68.62 128.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.43 -39.48 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -151.33 149.36 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.684 ' HA ' HG22 ' A' ' 30' ' ' ILE . 11.0 t -127.17 121.77 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.675 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 7.3 m -72.09 106.71 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.15 -35.86 72.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.36 22.73 7.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.04 -178.94 21.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.547 ' HA ' ' CD ' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -75.01 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -50.94 -43.83 60.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -54.55 -43.82 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.547 ' CD ' ' HA ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -58.74 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ARG . . . -40.64 -39.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.12 30.87 2.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 59' ' ' ALA . 6.6 p -69.61 160.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -141.96 137.79 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 55.6 t -61.11 137.41 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.93 61.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.32 115.81 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 44.5 tttm -78.61 95.83 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.692 HD21 ' CG2' ' A' ' 73' ' ' VAL . 6.4 tp -52.77 146.24 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 102' ' ' TRP . 15.3 mt -127.0 -41.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.6 mt-10 -139.66 163.77 31.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 76' ' ' VAL . 25.2 t -150.79 98.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.01 11.55 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.98 -21.83 15.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.033 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.0 p -71.24 134.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.04 117.04 21.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.642 HD12 ' CG2' ' A' ' 73' ' ' VAL . 41.5 mt -108.1 42.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.27 110.5 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 28.8 73.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -90.61 151.96 21.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -71.98 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -50.02 -53.03 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.473 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 28.5 p-80 -50.43 -53.66 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.507 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 3.4 mt-10 -45.5 -50.14 13.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.02 -56.72 17.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t -48.8 -54.66 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -50.51 37.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -65.19 -37.36 87.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD11 HD13 ' A' ' 32' ' ' ILE . 24.4 mt -62.0 -49.19 77.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 92' ' ' GLY . 3.4 ptt180 -72.5 -27.37 62.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 91' ' ' ARG . . . -82.71 75.23 2.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.947 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -164.92 -176.35 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.642 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -138.37 -158.02 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.7 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -38.31 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.412 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.7 ' H ' HG23 ' A' ' 95' ' ' THR . . . -83.3 115.26 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.947 HG22 ' HB1' ' A' ' 93' ' ' ALA . 71.1 t -115.55 109.71 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -82.74 119.31 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.514 ' CE ' HD11 ' A' ' 30' ' ' ILE . 3.9 mtm -123.76 126.46 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.2 ttm180 -99.51 105.69 17.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -101.92 151.37 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.719 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.4 t90 -103.11 127.04 50.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.034 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.676 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.8 ttm-85 -156.71 155.25 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' GLU . 8.6 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.598 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 5.5 mt-10 -38.38 157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.9 pt-20 -126.19 168.28 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 mt-10 -87.01 136.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -133.91 161.04 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 m -132.21 134.5 45.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -132.08 151.8 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -126.64 133.1 51.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 7.7 mt -118.06 150.16 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.02 117.97 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 9.0 ttt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.51 65.59 0.42 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.635 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -144.13 151.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -116.25 142.82 46.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 90' ' ' LEU . 13.2 pt -116.11 159.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.51 134.99 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.29 -144.59 15.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.2 -130.03 5.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 37' ' ' GLY . 1.4 ttpp -86.39 -111.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . -71.57 57.67 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.42 169.42 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -68.58 129.39 92.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 148.88 35.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -73.44 -22.16 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -166.39 130.49 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.05 167.72 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.06 76.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.79 101.67 4.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.29 57.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.87 167.17 14.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.03 118.36 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.0 m-85 -119.47 154.58 33.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.434 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 20.8 mm -69.62 125.79 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.93 -38.59 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.84 154.19 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.554 HG22 HG22 ' A' ' 30' ' ' ILE . 11.7 t -134.49 101.9 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -48.28 107.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.01 -51.03 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -94.67 38.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.53 -179.58 21.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.645 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -51.58 -48.65 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.26 -42.29 30.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.13 -45.07 95.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.98 64.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.68 30.2 4.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.645 HG11 ' HB1' ' A' ' 59' ' ' ALA . 7.2 p -74.29 147.14 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -130.12 135.03 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 53.5 t -58.2 141.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.11 -16.5 59.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.91 137.46 45.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 11.8 tttt -99.37 92.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.505 HD11 ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -52.12 140.8 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 102' ' ' TRP . 12.3 mt -120.42 -42.43 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.4 tm-20 -149.75 149.12 30.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.996 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.0 t -137.85 114.42 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.5 t30 77.45 3.21 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -19.96 18.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 73' ' ' VAL . 11.8 p -76.29 130.55 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.94 117.2 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.7 32.67 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -87.31 79.02 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . . . 119.86 -31.7 5.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -39.75 136.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.98 163.4 12.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -41.51 -61.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.464 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 47.8 p-80 -47.84 -55.59 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.571 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 4.4 mt-10 -45.78 -43.71 13.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.82 -61.58 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.1 t -46.14 -52.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.79 -54.58 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.452 ' CB ' HG11 ' A' ' 76' ' ' VAL . . . -62.14 -42.83 99.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.433 ' CD1' HD13 ' A' ' 32' ' ' ILE . 21.4 mt -55.71 -58.07 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -62.79 -25.76 68.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.54 92.47 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.866 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -172.6 162.78 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -104.06 -164.53 24.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.756 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -39.64 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.756 ' H ' HG23 ' A' ' 95' ' ' THR . . . -78.51 107.37 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.866 HG22 ' HB1' ' A' ' 93' ' ' ALA . 55.3 t -100.04 108.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.75 124.32 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.471 ' HE2' HD11 ' A' ' 21' ' ' ILE . 9.5 mtm -127.43 117.36 22.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LEU . 8.5 ttt180 -90.75 105.24 17.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.55 161.13 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.734 ' HB2' HD21 ' A' ' 71' ' ' LEU . 5.3 t90 -115.89 125.53 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.461 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.42 158.62 37.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.306 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' GLU . 11.4 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.601 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 61.0 mt-10 -37.25 144.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.594 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.8 pt-20 -116.56 166.4 12.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.494 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -83.86 139.01 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -137.33 152.24 49.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.53 114.9 14.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -102.22 160.48 14.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -129.39 109.92 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.637 ' CG2' HD12 ' A' ' 28' ' ' LEU . 5.9 mt -99.0 155.58 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 22' ' ' LEU . 6.6 mt -115.08 141.03 48.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.0 ttt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.8 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.92 68.78 0.43 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.6 HD11 ' CE ' ' A' ' 99' ' ' MET . 15.2 pt -144.29 154.37 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.72 143.76 44.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 48' ' ' ILE . 24.4 pt -111.22 165.02 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.51 113.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.21 -145.67 15.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 171.57 22.11 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -59.19 128.36 36.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.39 -53.69 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.29 155.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.495 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.0 m -66.44 139.95 96.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.94 156.2 43.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -93.2 -30.69 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.43 -138.51 3.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -73.93 70.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.37 109.9 4.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -81.31 54.46 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.28 164.93 12.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.461 1.1 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.413 HG23 ' HB ' ' A' ' 32' ' ' ILE . 11.0 mm -92.8 117.38 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 42.1 m-85 -119.4 152.14 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.609 HG21 HG23 ' A' ' 53' ' ' VAL . 28.7 mm -69.28 129.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -97.74 -29.35 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -157.99 151.13 23.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.609 HG23 HG21 ' A' ' 50' ' ' ILE . 4.1 t -130.9 124.61 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 m -58.66 120.96 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -48.05 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.92 38.73 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.28 -179.35 21.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -34.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.691 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -55.19 -61.66 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.28 -46.0 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -60.48 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.63 -40.62 40.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.62 30.24 2.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.691 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -76.96 155.95 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -142.13 133.91 27.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 56.7 t -56.51 135.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.06 7.55 60.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.11 125.69 28.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.3 tttm -84.58 93.95 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.836 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -54.32 124.89 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 102' ' ' TRP . 19.6 mt -103.97 -44.34 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.4 mt-10 -142.45 159.64 41.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.979 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.5 t -146.02 99.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER 75.84 11.48 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.32 -25.27 11.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.979 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.5 p -68.39 136.42 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.97 122.69 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.7 25.97 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.33 97.71 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.37 36.72 33.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.31 150.1 22.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.83 164.55 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -51.11 -55.34 18.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 31.9 p-80 -50.01 -53.98 23.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 3.1 mt-10 -43.75 -47.81 7.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.07 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.5 t -41.37 -54.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -48.38 62.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.563 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.1 mt -67.09 -57.48 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -32.37 72.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.75 91.79 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.799 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -171.29 139.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.78 -165.17 32.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 19.5 p -40.61 -81.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.75 113.74 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.799 HG22 ' HB1' ' A' ' 93' ' ' ALA . 69.7 t -109.06 120.5 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -101.04 131.36 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.631 ' HG2' HG22 ' A' ' 73' ' ' VAL . 3.8 mtm -131.38 117.62 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 7.2 ttt180 -88.23 105.02 17.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.836 HG12 HD22 ' A' ' 70' ' ' LEU . 28.2 m -102.73 162.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.671 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.8 t90 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.755 ' HB3' HD11 ' A' ' 17' ' ' LEU . 5.3 ttm-85 -157.21 157.02 33.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.448 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.546 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 66.9 mt-10 -48.29 164.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.0 pt-20 -123.08 167.91 13.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.526 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mt-10 -86.31 133.41 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -138.25 153.24 49.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -134.91 117.32 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -102.54 158.85 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.9 m -125.12 118.3 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.887 HG21 HD22 ' A' ' 28' ' ' LEU . 6.9 mt -108.35 153.3 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 22' ' ' LEU . 6.7 mt -116.17 140.86 48.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 15.3 ttt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.887 HD22 HG21 ' A' ' 21' ' ' ILE . 16.6 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -152.59 65.99 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.549 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -146.71 162.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.423 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 12.2 m -120.64 136.33 54.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.825 HD13 HD11 ' A' ' 90' ' ' LEU . 27.7 pt -114.67 154.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.68 153.27 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.21 -149.48 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.91 142.34 10.6 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -48.1 137.47 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.85 -48.74 2.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.7 p -76.89 173.26 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.664 HG23 ' HD2' ' A' ' 40' ' ' PRO . 7.2 m -69.48 145.39 95.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 141.98 27.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -81.61 -26.02 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -119.04 -170.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 99.69 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t0 44.4 42.98 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -113.61 92.54 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -77.24 57.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.12 169.49 14.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -91.18 106.29 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.0 m-85 -112.87 154.69 25.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.528 HG21 HG23 ' A' ' 53' ' ' VAL . 51.2 mm -71.14 126.33 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -24.43 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' N ' ' HB2' ' A' ' 31' ' ' SER . 5.5 ttm180 -163.85 155.94 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.528 HG23 HG21 ' A' ' 50' ' ' ILE . 3.5 t -133.31 103.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.64 108.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.66 -54.76 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.63 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.65 179.54 16.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.26 6.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.892 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -61.26 -56.04 25.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -69.28 -47.89 63.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.25 -40.87 35.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.48 31.44 1.99 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.892 HG11 ' HB1' ' A' ' 59' ' ' ALA . 10.0 p -82.08 148.57 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.42 141.58 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.404 HG23 ' HB ' ' A' ' 53' ' ' VAL . 49.7 t -62.58 137.88 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.29 7.82 63.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.83 128.11 33.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 22.8 tttm -89.91 101.23 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.999 HD21 HG23 ' A' ' 73' ' ' VAL . 3.9 tt -59.29 147.55 35.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.929 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.4 mt -129.52 -41.57 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.4 mt-10 -136.05 157.47 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.999 HG23 HD21 ' A' ' 70' ' ' LEU . 1.8 t -147.79 98.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER 76.27 10.36 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -25.22 11.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.8 p -67.49 134.82 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.14 122.72 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 86' ' ' ALA . 29.2 mt -116.32 37.73 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.77 105.51 7.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.96 80.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.86 157.66 21.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.3 168.03 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -54.65 -59.91 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.469 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 34.1 p-80 -46.21 -53.25 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 3.2 mt-10 -44.74 -46.45 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -64.48 -61.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' A' ' 90' ' ' LEU . 46.6 t -42.6 -60.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -49.82 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.506 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -64.83 -38.36 90.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.825 HD11 HD13 ' A' ' 32' ' ' ILE . 12.5 mt -64.76 -60.99 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -57.72 -26.5 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.09 93.27 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -176.82 144.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.37 -164.69 39.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 1.4 m -41.96 -71.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.405 ' HA ' HD23 ' A' ' 22' ' ' LEU . . . -74.72 115.06 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 93' ' ' ALA . 75.4 t -112.91 118.59 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.63 139.05 39.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.911 ' HG2' HG22 ' A' ' 73' ' ' VAL . 49.0 mtm -144.25 123.07 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -88.74 103.68 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.67 150.65 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.929 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.0 t90 -106.02 124.14 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.475 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 50.6 ttp85 -156.69 155.72 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 8.2 tp10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.531 ' HB2' ' CE2' ' A' ' 102' ' ' TRP . 5.6 mt-10 -44.89 165.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.6 pt-20 -120.86 163.04 18.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.637 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.1 mt-10 -82.07 139.61 34.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -139.52 161.91 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 m -133.75 122.18 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -117.59 149.26 40.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.1 m -123.91 122.76 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.665 HD13 HD13 ' A' ' 28' ' ' LEU . 8.6 mt -106.59 152.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 22' ' ' LEU . 4.0 mt -104.94 134.73 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 7.9 ttt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.665 HD13 HD13 ' A' ' 21' ' ' ILE . 5.7 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.44 62.66 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.619 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -145.35 154.15 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -112.05 133.74 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 90' ' ' LEU . 18.0 pt -109.81 159.32 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.57 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.3 -125.36 6.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.67 129.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -40.24 149.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.74 -61.22 4.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -69.7 175.47 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 0.717 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 6.2 m -72.21 134.69 82.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.01 136.81 20.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.42 -34.99 67.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -105.42 -171.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.81 -89.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -126.26 55.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.53 101.14 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -77.87 57.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.93 167.5 21.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.0 mm -91.71 108.11 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.5 m-85 -112.61 154.95 25.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.573 HD11 ' OD2' ' A' ' 68' ' ' ASP . 35.5 mm -68.32 137.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t -104.51 -40.28 6.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -153.34 143.54 22.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 30' ' ' ILE . 12.5 t -128.51 99.32 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -63.74 107.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -45.76 -44.85 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.2 59.38 5.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.97 179.38 21.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -33.66 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -64.03 -59.86 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -40.08 -40.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.79 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.74 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.22 27.48 5.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.709 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -68.32 151.78 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mtt85 -140.06 131.06 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -50.95 147.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.87 -18.05 56.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.573 ' OD2' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.28 129.26 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 38.3 tttm -95.16 90.49 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.524 HD21 ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.99 133.2 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' ' 102' ' ' TRP . 28.6 mt -113.87 -36.55 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -155.2 147.51 23.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.986 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.4 t -134.96 114.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.4 t30 76.09 3.96 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.69 15.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.82 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 118.74 19.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.457 HD12 HG23 ' A' ' 73' ' ' VAL . 55.8 mt -102.91 35.0 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -91.57 80.58 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.08 -33.01 4.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.686 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -48.28 142.05 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.515 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 36.9 mt-10 -70.83 176.39 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -51.63 -62.29 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 82' ' ' GLU . 42.2 p-80 -42.04 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.686 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 6.2 mt-10 -46.51 -45.85 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -61.62 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.1 t -42.13 -55.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -43.95 -51.25 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 76' ' ' VAL . . . -63.91 -38.71 92.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' ' 32' ' ' ILE . 27.2 mt -63.0 -52.56 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -70.06 -26.68 64.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -89.85 67.86 2.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.855 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -156.56 151.3 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -97.27 -161.23 31.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.443 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 p -38.47 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -73.09 116.38 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.855 HG22 ' HB1' ' A' ' 93' ' ' ALA . 76.2 t -112.1 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.6 127.91 35.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.588 ' CE ' ' CD1' ' A' ' 28' ' ' LEU . 2.5 mtt -131.8 118.63 20.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 5.2 ttp180 -88.42 105.18 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.526 HG12 ' OD1' ' A' ' 68' ' ' ASP . 35.2 m -101.75 153.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.815 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.1 t90 -112.02 124.96 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -155.67 157.44 36.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.647 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.26 152.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' CG ' HD21 ' A' ' 17' ' ' LEU . 6.4 pt-20 -118.43 161.9 19.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.64 136.7 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.709 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.5 mt -132.43 163.83 27.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 105.34 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 tp -96.88 159.74 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m -134.76 121.31 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.565 ' CD1' ' HE3' ' A' ' 99' ' ' MET . 9.3 mt -110.84 151.5 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.0 mt -102.53 141.36 35.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.5 ttt-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.92 56.05 0.45 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.609 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -144.04 159.29 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -118.86 151.96 37.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.728 HG21 HD11 ' A' ' 90' ' ' LEU . 34.0 pt -119.53 162.29 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -162.56 133.63 4.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.3 -116.4 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.69 156.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -59.13 148.34 31.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.85 -60.58 4.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.03 170.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.49 HG23 ' HD2' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -70.9 142.0 87.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.49 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.96 122.69 7.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.816 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.18 -32.02 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -105.12 -79.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 178.3 113.24 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 3.0 t70 76.06 -58.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.03 100.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.44 164.18 15.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mm -92.42 109.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 5.6 m-85 -114.48 156.95 23.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.509 HG21 HG23 ' A' ' 53' ' ' VAL . 34.1 mm -69.0 125.41 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -91.48 -36.78 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 153.0 25.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 30' ' ' ILE . 5.0 t -131.13 100.19 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.5 m -49.08 111.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -49.84 -54.63 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.97 53.58 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.35 -177.66 14.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -39.39 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.899 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -58.23 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -47.99 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -50.12 -37.09 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 24.68 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.899 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.0 p -72.39 156.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -139.2 137.4 35.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.457 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 69.6 t -58.44 147.92 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.61 -24.26 28.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.61 131.36 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 45.0 tttm -91.87 98.65 11.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.076 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -58.26 130.54 47.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 102' ' ' TRP . 6.1 mt -112.11 -39.88 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.99 160.42 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.029 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.6 t -150.98 101.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.28 10.71 5.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.41 -21.76 18.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 1.029 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.9 p -69.71 137.77 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.83 122.17 28.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.77 43.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.08 72.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.67 -27.6 4.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.621 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -46.49 142.78 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 38.5 mt-10 -72.29 171.22 12.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -48.51 -56.58 7.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.644 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 45.2 p-80 -52.48 -53.74 41.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.621 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 3.9 mt-10 -43.78 -50.18 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.76 10.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -41.88 -53.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -49.37 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -67.09 -46.4 74.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.728 HD11 HG21 ' A' ' 32' ' ' ILE . 19.6 mt -53.6 -52.24 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -24.56 63.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.56 92.16 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.729 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -176.02 137.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.04 -163.3 21.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 68.4 p -38.83 -80.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -71.7 116.59 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.729 HG22 ' HB1' ' A' ' 93' ' ' ALA . 87.1 t -108.87 116.76 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -95.15 131.6 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.677 ' HG2' HG22 ' A' ' 73' ' ' VAL . 13.2 mtm -133.54 118.02 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -88.24 105.42 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 1.076 HG12 HD22 ' A' ' 70' ' ' LEU . 33.1 m -101.56 167.16 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.735 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.8 t90 -120.33 126.19 49.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.709 ' HB3' HD11 ' A' ' 17' ' ' LEU . 4.7 ttm-85 -157.04 155.91 31.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 8.5 tt0 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -137.02 162.85 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -131.31 164.26 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.62 117.31 11.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.9 -58.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.3 161.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.971 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.44 -94.37 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 49.33 88.13 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.34 141.32 28.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -88.03 141.12 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 mm -111.31 137.33 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.2 pt-20 -176.91 138.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.606 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 1.9 mp0 -38.17 147.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.526 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.1 pt-20 -116.72 166.89 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.563 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mt-10 -84.53 136.25 33.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.2 mt -137.0 151.62 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m -126.84 127.85 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -121.08 151.94 39.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m -118.25 120.61 38.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.709 ' CG2' HD22 ' A' ' 28' ' ' LEU . 8.0 mt -106.09 155.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 22' ' ' LEU . 5.6 mt -109.91 138.92 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -121.24 104.37 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HG3' HG22 ' A' ' 25' ' ' THR . 14.7 pt20 -109.01 -4.38 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.412 HG22 ' HG3' ' A' ' 24' ' ' GLN . 3.5 t -171.47 151.19 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.49 -119.64 1.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.79 -153.11 8.72 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.709 HD22 ' CG2' ' A' ' 21' ' ' ILE . 19.4 mt -86.62 -166.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.63 63.05 0.63 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.601 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -144.09 170.44 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -129.89 140.24 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.9 pt -115.56 155.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -152.73 148.92 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.49 -122.51 5.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 137.06 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -53.4 136.54 37.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.96 -45.13 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.06 174.78 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.965 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.7 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.8 m -68.36 145.42 97.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.7 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 162.07 37.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 80.6 t80 -90.61 -36.7 14.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -125.93 116.76 22.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.98 -147.59 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -90.53 68.07 6.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.59 104.07 7.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.75 56.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.11 167.65 13.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.11 107.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.1 m-85 -113.24 155.08 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HG23 ' A' ' 53' ' ' VAL . 37.1 mm -68.61 128.87 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 47.8 t -98.49 -25.22 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -161.42 155.21 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.565 HG23 HG21 ' A' ' 50' ' ' ILE . 3.8 t -135.03 100.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 70.4 m -45.91 116.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -52.08 57.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 72.64 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -141.14 -175.89 15.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -34.31 3.93 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.782 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.93 -57.85 8.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.63 -40.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -64.43 -50.69 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.33 -39.99 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.12 26.19 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.782 HG11 ' HB1' ' A' ' 59' ' ' ALA . 8.2 p -67.99 147.08 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.12 134.75 45.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 76.8 t -58.03 139.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.55 -13.53 62.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.67 128.68 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 37.7 tttm -88.17 100.12 12.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 102' ' ' TRP . 4.4 mt -116.84 -41.94 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -141.0 159.08 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.001 ' O ' HG12 ' A' ' 76' ' ' VAL . 8.7 t -149.34 105.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.84 11.1 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.56 -22.88 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.0 p -68.64 141.43 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.04 118.46 26.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' A' ' 89' ' ' ALA . 28.1 mt -103.57 27.32 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.3 113.7 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.12 46.7 20.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.09 145.32 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.07 155.97 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -43.46 -58.18 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.511 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 25.4 p-80 -48.53 -55.55 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 3.4 mt-10 -46.41 -49.86 17.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.33 -59.22 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.4 t -45.38 -57.37 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -53.56 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.611 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -46.25 -55.23 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.534 HD21 ' HE1' ' A' ' 99' ' ' MET . 28.3 mt -49.92 -52.96 29.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -39.21 56.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.64 88.53 1.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.956 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -174.58 135.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.5 36.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 p -38.2 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.76 122.6 23.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.956 HG22 ' HB1' ' A' ' 93' ' ' ALA . 75.8 t -120.45 118.89 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -95.76 131.23 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.537 ' HE1' HD11 ' A' ' 30' ' ' ILE . 1.2 mtt -130.47 119.96 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 2.6 ttt180 -93.3 105.39 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.005 HG12 HD22 ' A' ' 70' ' ' LEU . 27.8 m -101.66 164.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.767 ' HB2' HD11 ' A' ' 71' ' ' LEU . 7.5 t90 -116.61 125.46 51.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.606 ' HB3' HD11 ' A' ' 17' ' ' LEU . 12.8 ttm-85 -156.87 156.24 32.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 1.3 tt0 -87.25 137.03 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.2 p -49.82 103.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.96 175.82 26.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.69 31.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 110' ' ' GLY . 71.1 m -121.22 116.16 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.2 m 62.82 -79.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.057 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 108' ' ' SER . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -175.22 158.37 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 p -143.53 163.52 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.06 110.82 2.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.64 129.46 41.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.993 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.45 151.32 32.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.03 84.0 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -130.92 93.41 31.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.54 3.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.38 171.12 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -72.53 155.83 39.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mt -102.72 133.65 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -176.62 138.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.596 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -38.58 155.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.615 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.5 pt-20 -125.01 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.684 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.8 mt-10 -85.9 138.38 32.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -140.11 151.33 45.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -129.74 116.61 19.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.348 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -105.57 159.45 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -135.66 114.69 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.43 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mt -103.24 156.01 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -105.84 100.17 9.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -45.52 111.7 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' THR . 2.1 pt20 -112.2 73.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' GLN . 5.2 t 36.22 46.15 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.92 38.65 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.884 ' C ' HD13 ' A' ' 28' ' ' LEU . . . 47.22 -105.62 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.884 HD13 ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -133.12 -161.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.51 53.53 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.712 HG22 ' HA ' ' A' ' 53' ' ' VAL . 22.2 pt -137.65 166.27 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.93 143.13 49.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 pt -113.44 156.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.15 112.28 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.54 -151.48 23.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.62 152.22 15.59 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -52.06 135.25 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.09 -56.8 4.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 111.038 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -55.42 160.37 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.453 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 61.1 m -67.69 140.46 94.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.02 -174.47 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.477 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 2.6 t80 -116.22 -32.31 5.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -104.83 -80.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.98 -151.23 6.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.08 64.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -125.1 118.59 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.84 53.28 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.0 164.82 18.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.1 126.82 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 17.3 m-85 -121.32 162.62 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 53' ' ' VAL . 12.8 mm -81.55 126.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -30.86 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -159.31 159.67 34.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.712 ' HA ' HG22 ' A' ' 30' ' ' ILE . 3.5 t -137.17 121.18 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.587 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.3 m -57.78 110.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.64 -51.89 44.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -107.34 42.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.08 -175.8 22.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.46 3.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -61.45 -58.33 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -76.42 -47.26 23.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.674 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.17 -39.85 30.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.61 29.92 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.847 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.2 p -80.63 157.1 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.95 136.31 30.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.414 HG23 ' HB ' ' A' ' 53' ' ' VAL . 54.0 t -58.4 140.61 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.38 78.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 131.99 52.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.1 tttm -92.89 97.61 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -55.49 126.45 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 102' ' ' TRP . 8.9 mt -106.67 -41.13 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.9 mt-10 -145.69 160.7 41.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.999 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.7 t -147.71 99.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.16 9.99 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.57 -22.91 14.23 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.999 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.2 p -71.54 135.48 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.8 120.5 25.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLN . 18.7 mt -97.18 -11.13 24.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.6 mt-30 -38.77 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.34 53.13 3.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -121.37 143.66 49.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 40.7 mt-10 -73.09 176.53 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.96 -52.35 65.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 9.2 p80 -53.31 -47.58 69.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.479 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 6.3 mt-10 -51.63 -40.04 59.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.05 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.6 t -50.28 -56.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -52.91 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.549 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -52.28 -59.03 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.4 mt -48.28 -48.33 35.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -55.17 -48.46 73.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.49 91.47 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.802 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -169.41 131.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.58 -167.58 14.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.449 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 22.7 m -41.19 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.5 106.57 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.802 HG22 ' HB1' ' A' ' 93' ' ' ALA . 55.8 t -100.97 108.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 124.57 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.44 ' HG2' HG22 ' A' ' 73' ' ' VAL . 6.7 mtm -130.43 115.14 16.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 11.2 ttm180 -89.0 106.65 18.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.005 HG12 HD22 ' A' ' 70' ' ' LEU . 34.3 m -102.0 169.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.742 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.6 t90 -126.75 123.97 38.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 108.03 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.58 ' HB3' HD11 ' A' ' 17' ' ' LEU . 35.4 ttm-85 -156.48 157.71 35.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -91.32 123.31 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.6 m -127.01 141.35 51.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.42 -146.7 5.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.6 4.25 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.1 m 47.99 91.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.27 157.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 p -131.89 169.86 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.67 108.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.8 -157.51 8.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.54 158.74 9.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.764 . . . . 0.0 110.056 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -173.57 158.79 3.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.79 147.07 18.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.13 116.22 42.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.75 33.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.78 149.32 51.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 140.37 29.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 107' ' ' PRO . 79.0 mt -115.86 148.57 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.7 pt-20 -170.32 130.22 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.608 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 19.3 mt-10 -38.77 146.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' CG ' HD21 ' A' ' 17' ' ' LEU . 5.4 pt-20 -117.26 166.86 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.59 135.42 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 103' ' ' ARG . 2.7 mt -131.01 155.14 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 m -127.86 128.75 45.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 mt -128.69 150.75 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -124.6 135.0 52.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.5 mt -118.53 152.14 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.49 113.61 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.48 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -80.36 149.16 30.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 171.19 116.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.2 t 38.85 44.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.09 128.84 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.64 62.14 4.47 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD12 HD22 ' A' ' 90' ' ' LEU . 30.4 mt 73.49 -179.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.93 61.52 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.592 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -141.04 161.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -118.18 134.91 54.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.3 163.72 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.5 165.94 34.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.01 -118.79 5.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.74 132.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -42.06 131.34 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.33 48.66 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.01 165.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.059 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.62 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.0 m -67.15 143.75 97.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.97 165.83 30.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -96.23 -35.36 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -84.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.19 -138.89 4.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.59 67.33 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -142.25 118.4 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.05 46.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.65 169.07 16.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.5 mm -94.31 116.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 11.9 m-85 -122.15 152.1 40.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.543 HG21 HG23 ' A' ' 53' ' ' VAL . 28.1 mm -68.84 132.92 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -103.89 -33.55 8.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.61 145.2 19.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.543 HG23 HG21 ' A' ' 50' ' ' ILE . 6.1 t -127.37 108.5 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 67.8 m -53.4 109.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -48.87 64.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -98.32 42.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.81 -178.47 18.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.471 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.01 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -55.42 -57.35 12.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -39.96 -49.69 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -50.99 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.28 19.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.14 28.39 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.5 p -71.77 152.74 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.401 ' NH1' ' NH1' ' A' ' 103' ' ' ARG . 73.7 mtt180 -133.73 144.15 48.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.445 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 48.1 t -67.96 138.61 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.5 1.25 64.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.46 124.12 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.513 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 16.4 tttm -85.16 95.63 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.599 HD11 HG21 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -54.57 140.97 33.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 102' ' ' TRP . 6.6 mt -120.95 -42.01 2.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.5 tm-20 -149.43 145.91 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.944 ' O ' HG12 ' A' ' 76' ' ' VAL . 20.9 t -137.56 112.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.5 t30 78.19 3.61 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.7 -22.5 14.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.944 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.2 p -73.18 132.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.43 117.46 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.8 mt -105.48 36.96 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.81 108.43 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.81 29.72 70.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.29 151.67 19.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.42 168.48 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -54.74 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.408 ' ND1' ' N ' ' A' ' 85' ' ' GLU . 18.2 p80 -47.51 -49.36 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' N ' ' ND1' ' A' ' 84' ' ' HIS . 3.1 mt-10 -49.16 -44.56 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.08 -59.89 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.8 t -47.6 -57.97 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -55.56 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -53.28 -63.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 28' ' ' LEU . 15.2 mt -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -53.98 -51.1 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.96 83.01 0.84 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.91 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -168.91 135.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.585 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -85.19 -161.49 34.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.48 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.9 m -39.91 -81.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.29 107.69 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.91 HG22 ' HB1' ' A' ' 93' ' ' ALA . 56.1 t -107.19 107.63 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -77.15 126.04 30.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.2 mtm -127.1 115.4 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.9 ttt180 -94.73 104.89 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.63 164.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.795 ' HB2' HD21 ' A' ' 71' ' ' LEU . 4.6 t90 -115.91 129.17 56.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.796 ' HB3' HD11 ' A' ' 17' ' ' LEU . 18.0 ttp85 -157.28 152.84 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -96.61 141.04 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.97 110.33 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 53.54 -176.75 0.23 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HA ' HG12 ' A' ' 12' ' ' ILE . 18.2 Cg_endo -75.0 91.97 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.8 m -65.97 136.21 55.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 m -93.28 -58.38 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -168.38 170.46 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -110.78 147.45 34.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.053 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.87 -170.18 11.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -126.61 128.03 46.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.46 170.62 7.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.1 169.11 17.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.8 95.25 4.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.7 39.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.783 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.55 178.69 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -68.97 148.24 50.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.4 mt -117.65 130.26 72.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.5 pt-20 -149.92 124.37 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.619 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 17.7 mt-10 -37.17 145.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' A' ' 17' ' ' LEU . 7.5 pt-20 -114.31 166.98 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -84.2 140.6 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.861 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -136.04 163.19 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -134.55 111.73 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 4.8 tp -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 m -134.88 133.74 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 11.2 mt -125.77 152.12 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 21' ' ' ILE . 2.3 mt -106.22 133.1 51.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -92.53 139.1 30.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -134.09 -55.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.1 146.37 23.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.29 -99.11 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.565 1.166 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.89 89.85 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.793 HD12 HD22 ' A' ' 90' ' ' LEU . 21.4 mt 53.0 174.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.71 68.24 0.4 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.612 HD11 ' CE ' ' A' ' 99' ' ' MET . 1.6 pt -146.33 166.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 m -121.47 136.38 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 pt -114.09 163.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.14 130.1 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.05 -150.75 18.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.35 -160.78 22.12 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 37' ' ' GLY . 16.0 ttmm -73.31 -107.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -71.92 57.75 1.39 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t -138.84 170.96 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 7.8 m -70.72 135.23 85.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.3 Cg_endo -75.0 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' HA ' ' A' ' 51' ' ' SER . 50.3 t80 -110.6 -27.75 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.03 -71.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -147.43 -146.61 4.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -71.66 74.56 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -146.24 112.21 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.81 55.2 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.05 -177.51 17.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.2 mm -114.47 119.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.8 m-85 -122.05 157.35 31.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 24.2 mm -70.72 135.68 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.414 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -101.34 -40.08 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.84 154.44 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' A' ' 30' ' ' ILE . 5.1 t -131.28 97.28 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 m -49.65 107.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.91 -37.68 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.62 37.79 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.81 179.98 16.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.96 -33.44 4.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.799 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -60.63 -54.1 49.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.98 -47.83 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -50.8 70.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.95 -41.48 46.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.45 26.21 4.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.799 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.4 p -69.15 147.74 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -123.28 145.57 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 49.0 t -70.17 141.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.38 7.22 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 124.9 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.549 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.1 tttm -83.37 106.53 15.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.883 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -64.14 134.71 55.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 102' ' ' TRP . 7.9 mt -115.61 -41.91 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.54 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.002 ' O ' HG12 ' A' ' 76' ' ' VAL . 10.9 t -148.16 103.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.31 10.79 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.74 -22.12 15.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.002 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.2 p -69.54 136.79 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.48 117.48 23.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 mt -102.87 34.69 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -90.51 103.55 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.23 46.61 56.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.07 141.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 43.0 mt-10 -65.89 155.14 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -40.0 -56.02 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.486 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 36.1 p-80 -52.05 -54.61 28.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.486 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 4.2 mt-10 -47.25 -48.33 24.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -57.37 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.4 t -47.41 -54.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.16 -51.81 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -46.67 -55.9 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.793 HD22 HD12 ' A' ' 28' ' ' LEU . 21.7 mt -49.28 -51.78 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -52.74 -35.43 56.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.56 82.33 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.883 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -170.95 161.29 6.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -120.0 -157.91 10.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -38.35 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.622 ' H ' HG23 ' A' ' 95' ' ' THR . . . -72.75 109.51 6.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.883 HG22 ' HB1' ' A' ' 93' ' ' ALA . 53.7 t -110.04 111.82 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.54 128.7 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.612 ' CE ' HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -129.46 115.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -89.29 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.883 HG12 HD22 ' A' ' 70' ' ' LEU . 27.7 m -102.03 162.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.769 ' HB2' HD11 ' A' ' 71' ' ' LEU . 10.2 t90 -114.86 125.67 53.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 108.039 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.861 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.3 ttm-85 -157.11 154.75 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.42 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -89.65 146.98 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.2 t -137.84 106.8 5.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.47 -153.41 5.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 106.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 t -158.58 93.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.935 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -61.42 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 p -62.32 144.25 55.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 109.939 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.65 145.86 6.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.54 112.13 3.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -139.02 167.09 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 m -41.63 159.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.51 -129.75 6.77 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -163.8 108.09 0.94 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.78 5.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.98 133.04 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -122.29 137.89 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.2 mt -100.75 130.35 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -176.98 134.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 102' ' ' TRP . 5.7 mt-10 -51.02 159.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 17' ' ' LEU . 7.6 pt-20 -114.81 164.72 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -83.59 139.76 32.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -136.33 156.01 49.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -134.8 117.65 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -103.26 158.12 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 m -133.4 104.74 6.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.549 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 5.5 mt -93.96 155.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.8 mt -111.76 138.42 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' THR . 1.3 ttt-85 -97.15 153.19 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -171.04 -59.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -137.33 138.61 40.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.31 -99.75 1.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.05 81.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt 59.83 177.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.82 64.78 0.47 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.606 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.2 pp -143.76 176.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 17.7 m -140.46 155.08 46.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.6 164.55 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -166.35 118.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.87 -153.54 20.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . 109.73 147.62 11.88 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -40.33 130.66 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.04 -55.28 3.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -65.03 158.47 25.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.713 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.7 m -66.6 146.32 99.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.3 -35.68 76.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.12 141.74 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.87 164.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.52 73.65 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -144.49 115.2 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -78.82 54.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.38 165.3 12.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 48' ' ' ILE . 21.9 mm -90.59 109.67 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 6.0 m-85 -113.2 156.19 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 53' ' ' VAL . 12.3 mm -69.26 139.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.65 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 23.8 t -107.03 -22.19 12.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' N ' ' HB2' ' A' ' 31' ' ' SER . 3.5 ttt85 -163.55 150.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.627 HG23 HG21 ' A' ' 50' ' ' ILE . 3.0 t -132.72 103.03 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 m -49.82 107.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -52.95 -54.41 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -94.17 50.25 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.64 179.43 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.86 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.79 -60.04 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -34.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.73 -48.41 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.15 -40.47 32.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.71 30.76 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.86 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.8 p -81.98 150.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -140.63 137.62 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 67.2 t -58.88 137.57 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.65 -5.6 76.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 123.17 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . 31.0 tttm -81.25 95.52 6.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -57.13 146.13 28.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.801 HD11 ' HB2' ' A' ' 102' ' ' TRP . 7.5 mt -123.85 -40.81 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.1 tm-20 -151.03 148.96 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.926 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.8 t -138.83 114.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.4 t30 76.2 3.8 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.41 16.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.8 p -73.88 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.79 110.62 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 78' ' ' LEU . 16.8 mt -92.5 35.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -85.46 115.33 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.97 44.23 92.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.1 145.96 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.68 158.59 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -45.87 -55.83 6.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.46 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 34.1 p-80 -51.74 -52.92 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 5.2 mt-10 -47.61 -42.97 25.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.52 -61.74 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.4 t -45.05 -59.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -57.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -47.75 -57.69 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -45.1 -54.99 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -51.51 -38.58 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.27 81.01 1.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 1.101 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -161.66 134.6 6.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.32 -162.81 37.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' ARG . 3.3 p -43.36 -50.37 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.45 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 1.101 HG22 ' HB1' ' A' ' 93' ' ' ALA . 53.6 t -111.35 113.4 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -95.87 127.35 41.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.549 ' HE2' ' CD1' ' A' ' 21' ' ' ILE . 1.3 mtm -125.99 114.48 18.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.5 ttt180 -93.11 104.43 16.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.2 m -107.03 159.37 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.801 ' HB2' HD11 ' A' ' 71' ' ' LEU . 13.6 t90 -110.55 125.88 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.751 ' HB3' HD11 ' A' ' 17' ' ' LEU . 1.7 ttm-85 -155.97 156.54 34.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -87.89 152.46 22.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.0 p -72.31 109.51 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -125.94 154.76 18.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.21 156.62 14.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.22 89.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -118.84 156.4 29.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.9 p -104.47 160.26 15.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.09 -92.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 m 58.09 106.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -164.82 137.08 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.82 130.02 5.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.93 151.63 42.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.29 22.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.02 177.26 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -104.72 158.52 16.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.9 mm -111.87 137.33 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -177.13 137.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.592 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 4.4 mt-10 -39.16 156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 6.5 pt-20 -122.06 168.75 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG2' HD13 ' A' ' 71' ' ' LEU . 1.9 mt-10 -88.94 134.23 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 1.7 mt -133.67 153.0 52.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 m -124.18 135.84 53.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -132.31 153.32 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.4 m -126.55 121.05 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.506 HG21 HD22 ' A' ' 28' ' ' LEU . 6.2 mt -105.32 153.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -102.84 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 4.5 ttt-85 -72.62 123.07 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -153.69 -45.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.8 p -110.9 120.01 40.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 45.44 -110.04 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.73 77.27 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD22 HG21 ' A' ' 21' ' ' ILE . 13.7 mt 71.91 -169.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.24 50.38 0.59 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pt -136.45 149.5 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 137.17 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.6 pt -106.78 161.12 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.28 -113.87 3.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.81 140.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -50.66 134.48 24.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.68 -57.18 0.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.95 168.52 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.8 146.42 99.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 158.85 41.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -91.87 -29.35 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.84 132.31 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.42 -150.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -96.72 62.28 1.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.77 115.61 20.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.61 49.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.43 165.75 16.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.9 mm -94.48 107.96 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 7.0 m-85 -109.65 164.11 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.434 HG21 ' CG2' ' A' ' 53' ' ' VAL . 14.6 mm -83.31 121.3 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -48.22 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.51 155.45 46.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 30' ' ' ILE . 15.4 t -133.26 106.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.9 m -52.15 110.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -53.84 17.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.41 83.62 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.02 -174.77 28.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.93 -38.46 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.561 ' CB ' HG23 ' A' ' 30' ' ' ILE . . . -58.79 -67.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HA ' HG12 ' A' ' 64' ' ' VAL . . . -55.03 -20.88 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 10.2 ttt85 -83.34 -10.01 58.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.3 -29.69 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.55 31.71 1.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 60' ' ' ALA . 6.0 p -76.83 157.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -141.83 135.39 29.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.74 137.73 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.21 -11.77 65.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -53.6 128.06 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 33.5 tttm -94.0 94.85 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.572 HD21 ' CG2' ' A' ' 73' ' ' VAL . 5.6 tp -50.15 147.12 4.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.75 HD21 ' HB2' ' A' ' 102' ' ' TRP . 17.2 mt -127.18 -41.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -142.18 166.35 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.019 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.1 t -152.69 98.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.34 10.46 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.59 21.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.9 p -79.29 128.5 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.71 115.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.534 HD12 ' CG2' ' A' ' 73' ' ' VAL . 38.2 mt -105.66 41.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.91 100.52 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.17 28.28 53.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.88 146.58 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 3.6 mt-10 -64.64 158.79 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.38 -58.52 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 82' ' ' GLU . 35.3 p-80 -44.26 -54.92 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 3.2 mt-10 -48.46 -49.66 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.17 -58.47 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.419 HG12 ' CD ' ' A' ' 91' ' ' ARG . 39.1 t -45.46 -58.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -50.48 57.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -48.05 -43.76 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 28' ' ' LEU . 50.1 mt -68.32 -48.76 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' CD ' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -52.22 -42.12 63.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -86.22 85.14 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.892 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -173.05 133.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 0.801 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -80.41 -163.73 29.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 3.5 m -38.86 -82.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 110.35 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.892 HG22 ' HB1' ' A' ' 93' ' ' ALA . 43.3 t -109.08 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.51 128.06 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 73' ' ' VAL . 7.1 mtm -133.64 120.74 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LEU . 1.4 ttt85 -92.84 105.72 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.0 m -102.16 152.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.75 ' HB2' HD21 ' A' ' 71' ' ' LEU . 4.2 t90 -104.4 127.76 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.43 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.36 157.64 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 2.1 tt0 -89.33 137.11 32.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -149.19 110.71 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 54.26 168.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 82.42 2.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.52 135.1 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.3 p -83.49 160.16 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -85.59 156.17 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.85 121.69 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.63 -74.03 0.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.87 156.31 19.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -103.47 170.83 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.96 -62.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 2.7 mt-10 64.26 136.77 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 8' ' ' GLU . 18.1 Cg_endo -75.03 122.62 7.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.89 129.45 50.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.84 163.2 19.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.9 mt -119.08 137.95 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.1 pt-20 -177.95 139.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 9.0 mp0 -38.19 149.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.7 pt-20 -120.5 167.44 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.561 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -85.04 139.34 31.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.581 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -137.94 154.49 49.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.437 HG22 ' HG2' ' A' ' 98' ' ' GLN . 1.4 m -127.12 105.63 8.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -93.51 163.05 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 m -135.51 123.9 23.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.602 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 8.9 mt -115.82 151.65 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 22' ' ' LEU . 3.4 mt -103.65 138.33 40.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HE ' HG21 ' A' ' 97' ' ' VAL . 5.6 mtt180 -87.89 122.44 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -115.36 -94.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.1 p -93.99 -75.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.0 -39.34 20.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 92.75 111.52 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.868 HD21 HG11 ' A' ' 97' ' ' VAL . 1.2 mp 62.16 127.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.27 57.67 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.923 HG22 HG22 ' A' ' 53' ' ' VAL . 1.3 pp -134.09 161.64 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.75 152.31 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 pt -114.82 156.26 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -155.9 121.15 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.71 -131.47 5.77 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.11 138.9 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -45.06 136.27 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.74 -58.7 1.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -70.11 168.26 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.654 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.3 m -66.79 144.87 98.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.95 146.31 32.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.784 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD2' ' HG3' ' A' ' 42' ' ' LYS . 88.4 t80 -77.71 -38.11 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 4.3 mtpt -127.0 120.76 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.1 -153.64 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -85.64 69.25 10.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.11 108.72 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.3 54.19 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.18 162.72 14.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.7 mm -90.07 112.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.5 m-85 -115.8 155.04 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.459 HG21 HG23 ' A' ' 53' ' ' VAL . 30.7 mm -68.54 130.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -92.82 -43.15 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.38 158.39 43.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.923 HG22 HG22 ' A' ' 30' ' ' ILE . 2.3 t -135.73 100.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -46.09 139.56 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.01 -48.68 34.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 4.9 pt-20 -101.06 51.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.55 175.92 16.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.17 6.44 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.85 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -64.54 -56.36 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.99 -42.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -65.38 -46.79 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -52.05 -42.24 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.47 29.86 2.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.85 HG11 ' HB1' ' A' ' 59' ' ' ALA . 7.1 p -75.79 158.46 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.402 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.2 mpt_? -141.52 141.16 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.15 142.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.44 -19.04 56.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' OD1' ' NE ' ' A' ' 103' ' ' ARG . 8.7 m-20 -48.45 119.03 2.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 26.1 tttm -79.22 96.26 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.722 HD21 ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -58.58 136.66 57.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.753 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.1 mt -116.5 -40.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -151.36 146.57 26.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.934 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.5 t -134.59 114.35 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.5 t30 77.54 3.51 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.85 -21.97 15.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.934 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.9 p -73.74 131.26 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.97 117.06 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.77 30.84 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -72.34 106.18 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.24 43.34 99.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.26 150.45 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.45 163.12 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -50.28 -60.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 28.6 p-80 -46.38 -53.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.489 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 3.6 mt-10 -45.77 -47.12 15.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.68 -61.67 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.3 t -43.5 -60.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -57.45 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -48.57 -61.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -41.27 -54.75 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -50.6 -44.54 57.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.96 91.05 1.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.642 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -166.11 132.03 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.2 -164.8 18.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 p -39.2 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.451 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.47 109.88 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.868 HG11 HD21 ' A' ' 28' ' ' LEU . 96.7 t -94.0 114.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' A' ' 18' ' ' THR . 10.0 tt0 -89.11 130.68 35.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.722 ' SD ' HD21 ' A' ' 70' ' ' LEU . 2.9 mtm -131.39 116.15 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.435 ' O ' HD13 ' A' ' 70' ' ' LEU . 2.4 ttp180 -88.4 104.64 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.522 HG12 HD22 ' A' ' 70' ' ' LEU . 31.5 m -102.61 162.25 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.753 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.0 t90 -116.62 125.11 51.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 107.964 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.467 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -157.18 158.51 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 10.5 tt0 -91.1 133.41 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.2 t -92.75 139.38 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.74 136.01 12.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 70.45 5.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.62 130.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.31 -61.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 54.01 99.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.27 115.17 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.92 -70.08 1.02 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.8 153.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.761 . . . . 0.0 110.012 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.21 126.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.63 167.9 32.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -51.26 151.05 5.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.19 8.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 53.27 175.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.9 147.27 43.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -117.35 133.81 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.2 pt-20 -178.06 138.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.61 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 7.6 mp0 -38.18 150.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.57 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.8 pt-20 -121.72 165.33 15.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.1 mt-10 -84.87 137.74 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -136.19 155.99 49.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 m -134.38 116.05 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -104.29 161.12 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -135.53 105.9 6.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG1' ' CB ' ' A' ' 62' ' ' ALA . 3.7 mt -98.61 155.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.39 118.69 37.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.18 82.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' LEU . 23.7 pt20 -164.12 -175.26 3.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 110.246 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 25' ' ' THR . 11.6 t 34.37 44.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . 92.33 42.3 4.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.819 ' C ' HD12 ' A' ' 28' ' ' LEU . . . 40.74 -96.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.819 HD12 ' C ' ' A' ' 27' ' ' GLY . 5.8 mp -123.45 134.74 53.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.8 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.31 58.56 0.39 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.737 HG22 HG22 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -135.46 160.56 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.29 135.59 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.0 pt -105.34 152.57 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.54 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.7 -134.16 6.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.48 146.36 13.92 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 6.9 ttpt -49.77 161.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 0.725 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . 48.15 51.36 20.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.68 173.59 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.724 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.4 m -73.71 145.69 84.75 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.97 179.35 6.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -117.61 -33.92 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.06 -69.5 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.8 -176.76 14.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 78.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.47 132.3 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.4 49.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.64 162.69 12.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -98.87 114.55 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.51 151.87 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.566 HG21 ' CG2' ' A' ' 53' ' ' VAL . 10.2 mm -73.7 129.46 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.61 -44.1 8.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -145.94 150.97 37.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 30' ' ' ILE . 14.4 t -136.83 109.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -63.93 108.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.32 -27.98 62.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -103.47 27.92 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.82 179.46 19.64 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -65.06 -57.1 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.83 -38.46 7.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -67.68 -50.58 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.6 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -47.86 -36.39 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.67 29.71 2.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.674 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.1 p -78.1 157.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.1 140.12 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 52.9 t -63.8 136.12 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.68 -12.19 67.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.29 132.82 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -93.28 100.07 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.59 HD21 ' CG2' ' A' ' 73' ' ' VAL . 5.3 tp -55.44 143.16 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.774 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.0 mt -123.87 -40.68 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.43 166.27 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.025 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 t -150.98 99.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.7 OUTLIER 73.32 6.65 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.15 -10.24 22.59 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.025 HG12 ' O ' ' A' ' 73' ' ' VAL . 8.7 p -83.71 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.1 115.55 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 81' ' ' ALA . 21.7 mt -99.63 -16.95 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -36.18 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.14 43.38 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 78' ' ' LEU . . . -107.82 155.17 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.471 ' CG ' ' HE3' ' A' ' 36' ' ' LYS . 22.9 mt-10 -81.18 166.12 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -52.13 -52.21 53.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.418 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 38.7 p-80 -53.71 -50.35 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 7.0 mt-10 -50.18 -47.75 54.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.79 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.16 -56.79 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -54.76 27.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.758 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -44.87 -51.48 9.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 mt -52.32 -51.96 55.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.41 -52.0 63.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.32 85.31 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.425 ' HB1' ' OD1' ' A' ' 74' ' ' ASN . . . -165.68 131.2 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.3 -170.31 0.74 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 67.2 m -43.12 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.61 113.23 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.541 HG11 HD21 ' A' ' 28' ' ' LEU . 48.3 t -95.17 106.58 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -84.46 125.79 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.6 mtm -129.58 121.18 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.441 ' O ' HD12 ' A' ' 70' ' ' LEU . 4.3 ttp180 -95.11 104.56 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.46 157.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.774 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.4 t90 -111.87 126.36 55.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.028 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.708 ' HB3' HD11 ' A' ' 17' ' ' LEU . 17.4 ttm-85 -157.2 155.21 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -92.61 132.94 36.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -99.22 90.25 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -115.48 -144.78 8.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.6 42.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -140.59 -55.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.1 t -62.18 -75.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.04 138.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -131.44 171.61 13.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.29 166.55 31.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -135.69 161.12 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.4 124.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.07 142.39 15.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.16 155.7 79.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 86.28 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.96 165.49 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.12 146.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -105.73 136.89 38.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -172.43 137.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.611 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.91 157.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.578 ' HG3' HD21 ' A' ' 17' ' ' LEU . 8.2 pt-20 -122.83 165.61 16.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.506 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.2 mt-10 -84.46 139.13 32.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.578 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -136.8 163.18 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 98' ' ' GLN . 3.7 m -134.96 112.03 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 9.3 tp -100.15 160.63 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -134.87 121.34 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.6 mt -112.87 152.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 95' ' ' THR . 5.8 mt -111.66 139.87 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -79.16 149.09 32.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.24 -40.26 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.608 HG22 ' N ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -176.93 -70.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.608 ' N ' HG22 ' A' ' 25' ' ' THR . . . -57.18 -62.71 6.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.896 ' C ' HD22 ' A' ' 28' ' ' LEU . . . 133.44 99.26 0.68 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.896 HD22 ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER 55.94 174.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.288 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.09 68.82 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.692 HG22 HG22 ' A' ' 53' ' ' VAL . 8.9 pt -146.0 169.07 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.2 m -124.11 149.46 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 pt -122.17 166.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.69 127.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.59 -132.49 7.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.98 150.95 25.8 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -44.38 148.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.98 55.79 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.13 168.73 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.933 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.606 HG23 ' HD2' ' A' ' 40' ' ' PRO . 8.7 m -73.8 143.76 81.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.06 153.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 89.2 t80 -88.7 -32.13 18.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -123.89 -78.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -118.53 -178.82 17.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -64.62 78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.2 m-20 -137.22 116.48 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.48 54.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.51 175.89 18.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.6 mm -99.88 125.06 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -120.54 151.78 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.568 ' CG2' HG23 ' A' ' 53' ' ' VAL . 30.3 mm -68.53 124.63 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.58 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 30.6 t -92.43 -37.0 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -154.43 152.7 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 30' ' ' ILE . 3.3 t -137.47 95.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -51.0 108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.01 -21.51 31.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.39 28.65 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.62 -178.29 19.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.06 2.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.767 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -57.89 -53.65 55.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.44 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.34 35.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.51 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.93 3.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.767 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.6 p -82.42 154.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -135.68 139.5 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.31 144.84 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.33 -22.83 38.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 134.63 24.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 46.4 tttm -95.89 101.76 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.53 HD21 ' CG2' ' A' ' 73' ' ' VAL . 7.0 tp -56.59 147.15 23.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 102' ' ' TRP . 11.8 mt -127.45 -42.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.6 mt-10 -139.89 170.49 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.013 ' O ' HG12 ' A' ' 76' ' ' VAL . 6.6 t -152.82 100.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.51 10.92 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.66 -16.84 21.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.013 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.4 p -74.86 132.99 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.17 116.41 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 73' ' ' VAL . 23.5 mt -99.14 -4.21 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -76.26 91.9 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.31 -32.08 3.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -68.02 160.75 28.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 37.6 mt-10 -80.69 -177.1 6.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -61.53 -55.44 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.623 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 82' ' ' GLU . 30.3 p-80 -50.93 -49.52 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.619 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 3.1 mt-10 -49.35 -42.75 42.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -60.43 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.7 t -40.35 -59.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.94 -60.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -43.05 -58.67 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -44.6 -55.92 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -50.45 -51.87 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.73 87.75 0.74 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.78 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -174.69 128.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.16 -166.78 2.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.473 HG22 HD22 ' A' ' 22' ' ' LEU . 1.5 m -40.75 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.87 118.18 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.78 HG22 ' HB1' ' A' ' 93' ' ' ALA . 54.4 t -111.56 112.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 18' ' ' THR . 5.4 tt0 -89.15 123.04 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.632 ' HE1' HD11 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -125.01 127.02 46.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -97.38 104.41 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.74 154.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.76 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.8 t90 -106.8 125.98 51.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.466 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.59 157.44 35.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -86.97 146.98 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 71.7 p -79.56 111.8 16.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.28 135.22 33.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.461 1.1 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.64 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.93 -57.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.6 t -162.87 114.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.038 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.07 157.58 42.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -93.55 170.17 9.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.41 -123.27 2.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -165.75 136.76 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -85.36 116.63 23.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.56 -77.03 0.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 115.32 6.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.26 20.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.21 126.44 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.66 142.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.7 mt -107.88 132.3 55.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.0 pt-20 -178.01 139.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.598 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 6.3 mt-10 -37.82 154.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.578 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.2 pt-20 -121.91 167.37 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -83.8 140.95 31.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.578 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -137.76 161.18 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.481 HG22 ' HG2' ' A' ' 98' ' ' GLN . 1.4 m -134.72 106.07 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 6.9 tp -92.97 161.0 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 m -135.73 134.77 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.3 mt -128.62 152.79 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.5 116.12 31.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.6 ttp85 -70.89 139.08 50.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.45 -73.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 p -93.71 103.48 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.44 -145.57 39.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.7 78.74 0.38 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mt 70.09 173.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -136.64 55.47 0.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.723 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.1 pp -138.52 175.3 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -128.5 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.43 ' HB ' HG23 ' A' ' 48' ' ' ILE . 38.8 pt -132.71 158.17 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -144.13 163.86 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.36 -116.3 4.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . 61.06 127.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' GLY . 23.3 ttpt -40.27 108.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 45.91 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.9 167.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.532 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.1 m -69.88 141.0 89.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.532 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 159.88 40.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -93.76 -32.64 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -135.1 127.6 30.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.78 -149.2 1.12 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.17 64.75 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.26 124.29 40.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 50.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.16 165.82 17.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 48' ' ' ILE . 26.7 mm -96.12 112.13 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -116.18 153.92 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.433 HG21 HG23 ' A' ' 53' ' ' VAL . 11.0 mm -68.91 127.01 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.32 -30.2 12.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' HB2' ' A' ' 31' ' ' SER . 1.8 ttm180 -152.79 155.65 37.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.723 ' HA ' HG22 ' A' ' 30' ' ' ILE . 5.8 t -138.2 95.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 m -45.58 107.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -44.99 67.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.96 36.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.12 179.37 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.62 3.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -58.01 -56.41 22.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.25 -45.66 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -48.81 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.3 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.67 31.56 2.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -77.34 156.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -139.46 133.74 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 80.6 t -59.37 141.32 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 -6.36 60.51 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -68.32 133.59 48.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 39.4 tttm -91.2 106.81 18.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.055 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.12 133.48 51.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.769 HD21 ' HB2' ' A' ' 102' ' ' TRP . 4.5 mt -114.62 -40.64 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -143.85 159.3 42.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.019 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 t -150.45 99.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.471 ' OD1' ' HB1' ' A' ' 93' ' ' ALA . 0.8 OUTLIER 75.99 8.71 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.62 -20.91 17.46 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.1 p -74.19 131.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.12 118.29 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.2 mt -96.57 31.78 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -92.98 115.53 28.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.91 33.65 87.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.29 140.06 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.97 161.76 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -48.22 -55.39 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.466 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 26.5 p-80 -50.69 -51.96 44.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 2.5 mt-10 -48.48 -50.46 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.86 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.73 -53.28 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -53.52 10.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.62 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -57.74 -45.82 85.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.54 -45.63 84.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -18.18 60.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 93' ' ' ALA . . . -105.24 93.54 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.524 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -179.19 134.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.1 -162.89 3.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.2 m -46.5 -81.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 105.07 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.524 HG22 ' HB1' ' A' ' 93' ' ' ALA . 54.8 t -101.25 109.46 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.481 ' HG2' HG22 ' A' ' 18' ' ' THR . 6.1 tt0 -89.17 125.67 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.07 115.41 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 6.9 ttt180 -88.03 104.81 17.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.055 HG12 HD22 ' A' ' 70' ' ' LEU . 29.8 m -103.94 164.96 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.769 ' HB2' HD21 ' A' ' 71' ' ' LEU . 10.9 t90 -117.78 124.64 48.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.516 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.73 160.44 39.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -88.61 145.71 25.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 t -161.9 92.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.51 159.26 23.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.28 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.1 m -61.29 103.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 m -96.53 -58.58 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 t -128.45 145.36 51.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 0.729 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -117.39 150.77 38.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.62 -140.41 6.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 p -175.72 163.31 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.53 157.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.66 -169.92 12.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.1 151.12 51.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.88 8.23 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.04 147.92 23.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -92.03 150.98 20.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mm -110.91 132.72 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -176.26 133.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.608 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 89.7 mt-10 -45.08 156.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.637 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.7 pt-20 -112.86 170.27 8.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.881 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -86.76 145.05 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.881 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -143.99 158.86 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 98' ' ' GLN . 7.5 m -135.18 115.39 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -100.95 160.67 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -135.5 119.74 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.512 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 5.0 mt -108.12 152.32 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -108.24 109.75 21.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.2 ttt180 -73.68 146.38 44.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 176.99 -47.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 p -114.43 94.42 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.386 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.01 -156.45 39.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -116.34 70.34 0.28 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt 68.86 -171.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.07 56.84 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pp -142.73 155.78 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 136.87 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 pt -101.93 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 51' ' ' SER . . . -140.63 111.49 7.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -161.15 23.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.91 148.35 7.14 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -40.56 136.08 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 0.795 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 -54.57 4.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.69 170.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.749 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.6 m -73.22 146.42 86.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.749 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.95 155.31 43.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.45 -33.98 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 5.0 tttt -86.84 -78.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.16 -91.26 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.42 28.44 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.92 118.97 38.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -87.76 44.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.99 167.05 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 48' ' ' ILE . 22.4 mm -95.58 106.7 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 41.1 m-85 -112.33 154.54 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.573 HG21 ' CG2' ' A' ' 53' ' ' VAL . 45.7 mm -73.44 130.01 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 59.6 p -100.62 -32.37 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.59 147.93 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.593 HG22 HG22 ' A' ' 30' ' ' ILE . 9.5 t -135.2 109.14 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 m -46.07 109.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.79 -49.82 57.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.31 35.1 2.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.71 178.41 28.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.17 6.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -59.25 -60.7 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.58 -41.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -63.27 -48.59 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -50.16 -38.09 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.01 29.69 1.94 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.69 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.8 p -81.97 158.78 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -142.37 155.39 45.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.34 120.07 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.86 8.64 34.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' HB2' ' CG1' ' A' ' 50' ' ' ILE . 7.9 m-20 -71.24 126.99 31.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.0 tttt -85.72 97.35 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -60.78 127.15 30.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 102' ' ' TRP . 3.9 mt -108.31 -39.69 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -147.21 160.3 42.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.052 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.2 t -148.05 107.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 m120 66.76 9.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.47 -19.35 19.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.052 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.5 p -71.43 139.27 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.75 119.27 25.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.516 HD22 ' HA ' ' A' ' 86' ' ' ALA . 25.3 mt -104.18 33.18 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.32 115.52 28.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.75 33.88 63.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.42 144.27 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 2.4 mm-40 -64.12 155.09 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -43.83 -58.12 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.499 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 29.7 p-80 -47.2 -54.98 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.499 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 2.5 mt-10 -47.68 -49.6 27.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.516 ' HA ' HD22 ' A' ' 78' ' ' LEU . . . -64.79 -56.8 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.1 t -48.08 -57.28 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -53.31 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 1.025 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -45.68 -54.67 7.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -51.3 -52.3 46.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.72 -44.93 63.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.55 85.64 1.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.651 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -168.59 136.09 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -81.06 -155.4 12.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 34.0 m -53.22 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.26 102.91 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.651 HG22 ' HB1' ' A' ' 93' ' ' ALA . 94.7 t -97.96 121.59 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 18' ' ' THR . 2.2 tt0 -99.12 127.88 45.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.515 ' HE1' HD11 ' A' ' 30' ' ' ILE . 4.0 mtm -130.6 115.62 16.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 2.3 ttm180 -88.57 105.86 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.917 HG12 HD22 ' A' ' 70' ' ' LEU . 26.8 m -102.18 169.63 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.78 ' HB2' HD11 ' A' ' 71' ' ' LEU . 11.0 t90 -125.15 125.33 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 107.971 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.832 ' HB2' HD11 ' A' ' 17' ' ' LEU . 5.3 mtp-105 -155.49 157.84 37.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -93.23 122.06 35.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.8 t -128.99 76.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.43 170.52 12.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.41 31.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.3 p -171.28 99.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.2 p -60.23 136.19 57.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -157.75 103.95 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.42 165.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.5 80.27 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -130.16 132.11 45.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.999 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.65 136.43 13.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.46 -138.8 9.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -156.22 119.51 2.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.25 41.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.71 143.92 49.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -76.97 151.52 35.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 mt -101.93 136.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -174.78 136.99 0.43 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.615 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -37.77 155.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 5.2 pt-20 -122.31 168.51 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 mt-10 -87.77 132.61 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 103' ' ' ARG . 4.4 mt -135.33 160.58 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -126.79 141.73 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.7 mt -132.81 161.08 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 m -135.2 134.3 39.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 28' ' ' LEU . 9.9 mt -122.51 153.68 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.58 120.39 40.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.2 OUTLIER -81.68 103.38 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -124.68 116.02 21.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 p 40.09 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.3 -132.73 10.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' HA2' ' NH1' ' A' ' 23' ' ' ARG . . . -133.35 -119.32 2.0 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 21' ' ' ILE . 43.1 mt -111.89 -177.39 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.86 61.12 0.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.548 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -143.09 162.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -119.89 142.73 48.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.0 pt -114.41 164.89 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.23 136.92 3.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.87 -107.69 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.61 -129.13 10.84 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -129.15 136.88 50.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.65 -57.58 3.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.47 168.27 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.645 HG23 ' HD2' ' A' ' 40' ' ' PRO . 5.2 m -71.22 144.84 90.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.98 141.98 27.37 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.85 -31.95 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' HD3' ' CE2' ' A' ' 49' ' ' PHE . 12.0 ptmt -163.24 131.74 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.6 165.89 0.55 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -73.97 73.31 1.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -141.37 107.22 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -75.53 56.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.22 170.92 14.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mm -96.77 112.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 5.3 m-85 -116.94 151.4 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.446 HG21 HG23 ' A' ' 53' ' ' VAL . 39.5 mm -68.77 126.5 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -94.5 -35.58 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -154.66 151.15 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.446 HG23 HG21 ' A' ' 50' ' ' ILE . 8.8 t -128.74 105.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 m -45.79 106.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -55.79 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -108.28 66.84 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.54 -173.49 13.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -34.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.85 -57.32 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.52 -42.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -63.7 -48.46 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -51.6 -37.1 48.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.57 32.52 2.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.855 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.8 p -81.27 151.44 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HB2' ' NH2' ' A' ' 103' ' ' ARG . 98.1 mtt180 -141.45 132.8 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -51.75 138.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.47 -25.63 22.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.556 ' OD2' HG21 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -51.79 139.3 21.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 44.3 tttm -104.04 94.17 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.083 HD21 HG23 ' A' ' 73' ' ' VAL . 2.3 tt -51.33 149.53 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.2 mt -131.53 -42.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' OE2' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -137.06 154.61 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.083 HG23 HD21 ' A' ' 70' ' ' LEU . 2.0 t -144.71 101.29 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.28 6.44 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.19 -19.42 17.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.021 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.8 p -73.52 129.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.353 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HA ' ' OE2' ' A' ' 72' ' ' GLU . . . -75.76 119.89 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 86' ' ' ALA . 29.7 mt -113.6 45.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.36 105.08 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.77 34.71 88.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.7 167.56 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.55 ' HB3' ' CD2' ' A' ' 84' ' ' HIS . 5.5 mm-40 -75.83 149.59 37.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -50.72 -36.72 37.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.55 ' CD2' ' HB3' ' A' ' 82' ' ' GLU . 15.4 p80 -65.33 -44.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.597 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.482 ' CG ' ' CE1' ' A' ' 84' ' ' HIS . 4.0 mt-10 -58.91 -43.9 91.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -62.26 -55.81 24.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.75 -56.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -53.79 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.585 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -51.73 -53.78 35.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -50.61 -54.79 20.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -49.7 -43.13 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.98 91.58 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.954 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -169.88 133.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -81.45 -161.61 27.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.462 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 m -44.66 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.29 106.12 5.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.954 HG22 ' HB1' ' A' ' 93' ' ' ALA . 76.5 t -101.9 116.15 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -95.08 136.01 35.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.768 ' HG2' HG22 ' A' ' 73' ' ' VAL . 67.6 mtm -142.08 121.66 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' LEU . 4.6 ttt180 -88.2 107.04 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.556 HG21 ' OD2' ' A' ' 68' ' ' ASP . 33.5 m -101.08 151.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.767 ' HB2' HD11 ' A' ' 71' ' ' LEU . 4.8 t90 -104.43 124.42 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.503 ' HB3' HD12 ' A' ' 17' ' ' LEU . 23.8 ttm180 -156.89 149.42 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -82.18 131.62 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -148.19 105.7 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -108.79 151.69 17.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 69.96 5.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.763 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 110' ' ' GLY . 24.0 m -115.55 86.07 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 m 66.84 -71.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 108' ' ' SER . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -67.45 132.19 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -121.6 -57.62 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.055 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -165.06 0.14 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -56.23 168.08 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -110.31 157.02 19.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.26 -87.03 1.1 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 65.4 115.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 162.59 36.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.62 170.58 8.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -83.49 132.69 34.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mm -111.71 136.17 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -173.96 136.03 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.593 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 20.7 mt-10 -39.18 148.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 7.8 pt-20 -116.58 165.58 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 1.1 mp0 -86.05 139.74 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.9 mt -134.36 154.05 51.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -127.37 113.36 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.48 150.93 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 5.9 m -127.6 110.06 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' VAL . 4.6 mt -98.44 158.99 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.021 HD12 ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -110.39 130.45 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 1.021 ' N ' HD12 ' A' ' 22' ' ' LEU . 5.2 ttt-85 -67.51 85.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -108.54 165.89 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p 41.61 -160.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -40.34 -54.85 3.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.06 -164.11 31.21 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.549 ' CD1' HD22 ' A' ' 90' ' ' LEU . 54.9 mt -50.6 176.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.75 54.16 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.746 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pp -146.62 156.08 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 t -117.44 145.76 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.8 157.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -155.1 150.24 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.55 -138.26 13.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.5 -125.92 6.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -131.58 130.14 41.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.69 -55.52 4.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 173.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 32.5 m -68.59 135.84 90.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.2 Cg_endo -75.01 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -96.05 -34.05 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -103.61 -79.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -140.05 -144.85 4.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -75.54 71.8 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.03 110.13 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 56.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.83 159.29 14.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mm -92.51 127.37 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.9 m-85 -130.06 156.85 43.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.53 HG21 HG23 ' A' ' 53' ' ' VAL . 19.2 mm -69.12 132.78 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 t -101.43 -33.96 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.12 153.38 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.746 HG22 HG22 ' A' ' 30' ' ' ILE . 3.1 t -137.85 107.19 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -54.96 133.61 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -53.79 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.33 55.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.13 179.42 16.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.96 -40.98 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.812 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -54.11 -57.88 9.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.58 -49.54 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -54.76 -53.64 52.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.53 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.32 32.83 5.08 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.11 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.812 HG11 ' HB1' ' A' ' 59' ' ' ALA . 8.5 p -76.57 156.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.07 134.87 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.26 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.01 142.36 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.08 -4.25 70.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.38 127.01 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.321 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 14.0 tttm -84.79 100.61 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD11 ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -63.13 142.53 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.865 HD11 ' HB2' ' A' ' 102' ' ' TRP . 4.9 mt -123.49 -42.99 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -147.02 148.75 32.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.977 ' O ' HG12 ' A' ' 76' ' ' VAL . 21.2 t -137.38 113.46 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.5 t30 77.48 3.6 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.322 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -21.83 14.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.95 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.68 117.64 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 86' ' ' ALA . 43.9 mt -107.31 35.25 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -54.77 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.58 45.74 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.81 151.3 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 28.0 mt-10 -79.96 174.84 11.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -54.38 -60.02 3.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.543 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 6.8 p80 -48.7 -52.87 21.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.58 -42.87 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -65.09 -58.22 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.14 -57.27 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.72 -56.54 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.777 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -53.21 -56.55 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.549 HD22 ' CD1' ' A' ' 28' ' ' LEU . 13.5 mt -46.77 -55.05 8.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -49.81 -45.12 49.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.25 65.48 3.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -147.04 122.45 10.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.76 -162.12 2.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.43 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 15.1 p -47.66 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 107.23 3.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ILE . 49.5 t -101.01 143.82 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' ASN . 26.5 tt0 -120.85 138.96 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.611 ' HE1' HD11 ' A' ' 30' ' ' ILE . 2.3 mtm -139.07 124.75 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' LEU . 20.2 ttt180 -100.67 104.48 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -105.45 153.98 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.865 ' HB2' HD11 ' A' ' 71' ' ' LEU . 18.8 t90 -105.77 123.79 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 17' ' ' LEU . 11.1 ttm-85 -156.84 159.59 38.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 18.7 tt0 -88.68 141.61 28.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -145.16 95.99 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -94.23 -174.69 39.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.96 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m -119.15 164.04 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -108.54 129.05 55.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -69.09 167.96 14.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -45.68 142.33 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.97 138.6 6.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.26 140.7 25.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -98.69 125.58 44.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.12 173.99 21.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.02 156.35 0.23 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 119.15 5.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.48 171.03 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.92 149.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -120.65 142.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -177.49 138.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.621 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 8.1 mt-10 -38.8 153.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.568 ' CG ' HD21 ' A' ' 17' ' ' LEU . 7.7 pt-20 -121.33 165.29 15.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.95 136.7 33.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -134.44 165.9 24.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -134.5 108.88 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tp -96.01 160.07 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 6.9 m -136.25 134.58 38.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.665 HG21 HD22 ' A' ' 28' ' ' LEU . 10.3 mt -128.06 152.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.88 111.05 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -91.28 121.12 32.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -125.8 -42.48 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.0 t -134.18 160.41 37.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 40.95 -102.85 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.39 -103.29 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.665 HD22 HG21 ' A' ' 21' ' ' ILE . 18.7 mt -130.37 -163.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.57 57.47 0.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.558 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.1 pt -143.19 139.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.52 139.15 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -113.1 157.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -154.45 130.77 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.78 -150.25 17.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.95 160.09 16.66 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -62.11 145.33 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -59.84 4.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 170.8 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 0.9 OUTLIER -67.14 142.17 96.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.394 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.97 156.26 43.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 49' ' ' PHE . 85.8 t80 -88.15 -33.4 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.78 115.38 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.0 -166.21 0.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.26 73.6 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.41 113.93 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -79.56 54.11 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.89 167.37 12.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.0 mm -101.13 117.3 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.514 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 7.2 m-85 -114.69 154.42 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.505 HD11 ' OD2' ' A' ' 68' ' ' ASP . 38.5 mm -68.36 133.14 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.51 -45.9 5.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.04 136.48 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.479 ' HA ' HG22 ' A' ' 30' ' ' ILE . 22.2 t -107.55 100.42 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.48 117.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.02 59.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -97.22 59.59 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.26 -179.33 16.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.95 -48.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -47.3 -56.02 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.41 -50.45 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -53.37 -49.56 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 20' ' ' THR . . . -53.07 -40.7 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.58 31.68 2.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.69 HG11 ' HB1' ' A' ' 59' ' ' ALA . 11.6 p -68.52 157.3 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.47 141.47 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 77.3 t -61.52 146.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.58 -26.19 19.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.505 ' OD2' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -40.47 129.51 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 28.6 tttm -98.44 89.58 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.812 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -48.28 132.29 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 102' ' ' TRP . 20.3 mt -113.04 -41.92 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.4 mt-10 -144.73 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.986 ' O ' HG12 ' A' ' 76' ' ' VAL . 10.0 t -147.89 100.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.69 10.56 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.43 -19.41 19.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.4 p -72.8 136.77 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.42 117.18 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.442 HD11 HG21 ' A' ' 73' ' ' VAL . 21.7 mt -97.62 -15.38 20.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.69 89.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.72 28.38 4.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.42 145.66 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 13.6 mt-10 -70.58 164.27 25.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' ALA . 3.5 t60 -46.35 -64.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.5 p80 -42.35 -54.89 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.541 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.9 mt-10 -49.84 -40.47 42.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 89' ' ' ALA . . . -66.78 -59.73 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 91' ' ' ARG . 72.5 t -47.59 -57.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.42 -51.53 19.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -45.59 -47.32 14.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.578 HD22 HD12 ' A' ' 28' ' ' LEU . 33.8 mt -64.83 -49.03 72.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.427 ' HD2' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -51.37 -39.61 57.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.11 88.1 1.39 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.648 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -173.08 141.56 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.414 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -81.57 -170.69 44.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 96' ' ' ALA . 80.3 p -39.1 -79.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -66.31 108.09 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.648 HG22 ' HB1' ' A' ' 93' ' ' ALA . 68.2 t -105.97 115.57 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.72 131.29 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.48 ' SD ' HD21 ' A' ' 90' ' ' LEU . 5.6 mtm -132.86 122.77 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 3.2 ttm180 -87.75 105.14 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.812 HG12 HD22 ' A' ' 70' ' ' LEU . 35.8 m -102.14 155.41 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.721 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.8 t90 -112.33 126.81 55.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.753 ' HB3' HD11 ' A' ' 17' ' ' LEU . 14.1 ttm-85 -156.98 156.08 32.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.7 tm-20 -91.12 133.18 35.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 t -169.28 100.56 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.06 150.85 19.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 163.45 35.25 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.1 t -172.04 133.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.5 t -47.44 121.47 3.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -100.35 -58.48 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 t -146.74 159.97 42.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.98 -90.38 2.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.49 156.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 0.802 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -58.29 169.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.13 -78.27 1.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -170.09 150.11 3.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.22 12.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -165.09 161.78 19.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 65.87 145.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.9 mt -111.8 141.79 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -177.53 139.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 10.4 mt-10 -38.0 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.0 pt-20 -121.39 167.92 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.3 mt-10 -86.19 135.31 33.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -136.41 150.39 48.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -120.32 129.8 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -125.1 152.24 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -127.52 130.12 48.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.9 mt -118.59 150.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 21' ' ' ILE . 1.5 mt -104.06 129.7 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.5 ttt180 -83.89 170.03 14.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -161.3 -52.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.67 -49.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.358 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -105.85 98.34 1.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.901 ' C ' HD22 ' A' ' 28' ' ' LEU . . . -35.3 97.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.901 HD22 ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER 56.54 168.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.43 70.48 0.44 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.684 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.7 pt -143.61 160.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -110.74 136.01 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 90' ' ' LEU . 44.3 pt -107.94 166.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.55 26.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.96 -134.35 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.46 147.45 8.47 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -51.61 145.51 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 0.792 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 49.98 69.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -171.25 166.06 7.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.451 HG23 ' HD2' ' A' ' 40' ' ' PRO . 1.7 m -70.43 138.81 86.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 5.0 t80 -98.38 -33.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.84 -80.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.28 -147.18 5.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.32 66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -143.2 113.88 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 53.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.16 163.45 12.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mm -95.93 118.4 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 9.4 m-85 -121.32 150.95 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.541 HG21 HG23 ' A' ' 53' ' ' VAL . 25.1 mm -68.62 128.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.43 -39.48 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -151.33 149.36 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.684 ' HA ' HG22 ' A' ' 30' ' ' ILE . 11.0 t -127.17 121.77 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.675 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 7.3 m -72.09 106.71 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.15 -35.86 72.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.36 22.73 7.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.04 -178.94 21.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.547 ' HA ' ' CD ' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -75.01 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -50.94 -43.83 60.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -54.55 -43.82 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.547 ' CD ' ' HA ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -58.74 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ARG . . . -40.64 -39.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.12 30.87 2.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 59' ' ' ALA . 6.6 p -69.61 160.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -141.96 137.79 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 55.6 t -61.11 137.41 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.93 61.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.32 115.81 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 44.5 tttm -78.61 95.83 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.692 HD21 ' CG2' ' A' ' 73' ' ' VAL . 6.4 tp -52.77 146.24 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 102' ' ' TRP . 15.3 mt -127.0 -41.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.6 mt-10 -139.66 163.77 31.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 76' ' ' VAL . 25.2 t -150.79 98.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 72.01 11.55 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.98 -21.83 15.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.033 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.0 p -71.24 134.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.04 117.04 21.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.642 HD12 ' CG2' ' A' ' 73' ' ' VAL . 41.5 mt -108.1 42.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.27 110.5 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 28.8 73.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -90.61 151.96 21.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -71.98 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -50.02 -53.03 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.473 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 28.5 p-80 -50.43 -53.66 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.507 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 3.4 mt-10 -45.5 -50.14 13.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.02 -56.72 17.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t -48.8 -54.66 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -50.51 37.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -65.19 -37.36 87.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD11 HD13 ' A' ' 32' ' ' ILE . 24.4 mt -62.0 -49.19 77.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 92' ' ' GLY . 3.4 ptt180 -72.5 -27.37 62.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 91' ' ' ARG . . . -82.71 75.23 2.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.947 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -164.92 -176.35 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.642 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -138.37 -158.02 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.7 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -38.31 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.412 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.7 ' H ' HG23 ' A' ' 95' ' ' THR . . . -83.3 115.26 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.947 HG22 ' HB1' ' A' ' 93' ' ' ALA . 71.1 t -115.55 109.71 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -82.74 119.31 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.514 ' CE ' HD11 ' A' ' 30' ' ' ILE . 3.9 mtm -123.76 126.46 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.2 ttm180 -99.51 105.69 17.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -101.92 151.37 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.719 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.4 t90 -103.11 127.04 50.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.034 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.676 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.8 ttm-85 -156.71 155.25 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -93.06 137.77 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.9 t -91.85 112.53 24.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.9 -160.56 29.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.12 4.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 t -74.79 129.97 38.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.16 166.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -155.96 144.34 20.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.746 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.35 156.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.52 -100.2 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -50.07 -57.07 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.54 169.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.39 -147.15 7.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -166.48 92.86 0.77 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.22 5.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.4 126.15 20.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -57.64 129.96 44.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -105.31 134.74 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' GLU . 8.6 pt-20 -177.89 140.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.598 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 5.5 mt-10 -38.38 157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.9 pt-20 -126.19 168.28 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 mt-10 -87.01 136.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -133.91 161.04 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 m -132.21 134.5 45.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -132.08 151.8 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -126.64 133.1 51.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 7.7 mt -118.06 150.16 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.02 117.97 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 9.0 ttt85 -76.65 112.96 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' THR . 1.7 mm-40 -131.76 111.65 11.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' GLN . 70.1 p 36.42 71.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.41 161.68 10.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.591 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -60.49 -103.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -137.86 -179.69 5.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.51 65.59 0.42 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.635 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -144.13 151.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -116.25 142.82 46.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 90' ' ' LEU . 13.2 pt -116.11 159.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.51 134.99 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.29 -144.59 15.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.2 -130.03 5.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 37' ' ' GLY . 1.4 ttpp -86.39 -111.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . -71.57 57.67 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.42 169.42 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -68.58 129.39 92.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 148.88 35.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -73.44 -22.16 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -166.39 130.49 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.05 167.72 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.06 76.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.79 101.67 4.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.29 57.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.87 167.17 14.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.03 118.36 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.0 m-85 -119.47 154.58 33.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.434 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 20.8 mm -69.62 125.79 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.93 -38.59 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.84 154.19 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.554 HG22 HG22 ' A' ' 30' ' ' ILE . 11.7 t -134.49 101.9 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -48.28 107.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.01 -51.03 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -94.67 38.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.53 -179.58 21.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.645 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -51.58 -48.65 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.26 -42.29 30.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.13 -45.07 95.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.98 64.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.68 30.2 4.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.645 HG11 ' HB1' ' A' ' 59' ' ' ALA . 7.2 p -74.29 147.14 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -130.12 135.03 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 53.5 t -58.2 141.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.11 -16.5 59.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.91 137.46 45.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 11.8 tttt -99.37 92.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.505 HD11 ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -52.12 140.8 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 102' ' ' TRP . 12.3 mt -120.42 -42.43 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.4 tm-20 -149.75 149.12 30.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.996 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.0 t -137.85 114.42 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.5 t30 77.45 3.21 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -19.96 18.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 73' ' ' VAL . 11.8 p -76.29 130.55 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.94 117.2 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.7 32.67 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -87.31 79.02 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . . . 119.86 -31.7 5.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -39.75 136.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.98 163.4 12.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -41.51 -61.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.464 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 47.8 p-80 -47.84 -55.59 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.571 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 4.4 mt-10 -45.78 -43.71 13.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.82 -61.58 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.1 t -46.14 -52.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.79 -54.58 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.452 ' CB ' HG11 ' A' ' 76' ' ' VAL . . . -62.14 -42.83 99.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.433 ' CD1' HD13 ' A' ' 32' ' ' ILE . 21.4 mt -55.71 -58.07 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -62.79 -25.76 68.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.54 92.47 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.866 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -172.6 162.78 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -104.06 -164.53 24.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.756 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -39.64 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.756 ' H ' HG23 ' A' ' 95' ' ' THR . . . -78.51 107.37 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.866 HG22 ' HB1' ' A' ' 93' ' ' ALA . 55.3 t -100.04 108.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.75 124.32 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.471 ' HE2' HD11 ' A' ' 21' ' ' ILE . 9.5 mtm -127.43 117.36 22.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LEU . 8.5 ttt180 -90.75 105.24 17.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.55 161.13 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.734 ' HB2' HD21 ' A' ' 71' ' ' LEU . 5.3 t90 -115.89 125.53 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.461 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.42 158.62 37.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -90.74 139.43 30.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.306 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 m -137.58 113.16 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.059 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.9 144.97 11.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 86.32 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.0 m -153.42 155.06 35.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.51 90.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 110.048 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.929 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -82.63 147.81 28.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -128.19 161.34 29.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.955 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.71 166.1 13.12 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -109.27 112.92 25.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -134.39 83.98 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.88 -90.81 2.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -140.11 139.21 20.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.784 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 178.67 6.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.12 144.49 37.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 129.88 41.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 mt -115.16 140.2 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' GLU . 11.4 pt-20 -178.04 141.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.601 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 61.0 mt-10 -37.25 144.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.594 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.8 pt-20 -116.56 166.4 12.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.494 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -83.86 139.01 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -137.33 152.24 49.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.53 114.9 14.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -102.22 160.48 14.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -129.39 109.92 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.637 ' CG2' HD12 ' A' ' 28' ' ' LEU . 5.9 mt -99.0 155.58 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 22' ' ' LEU . 6.6 mt -115.08 141.03 48.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.0 ttt180 -94.44 151.15 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -158.99 -59.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 m -135.98 -63.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -96.53 89.94 1.12 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.898 ' C ' HD22 ' A' ' 28' ' ' LEU . . . -36.72 98.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.898 HD22 ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER 54.93 169.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.92 68.78 0.43 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.6 HD11 ' CE ' ' A' ' 99' ' ' MET . 15.2 pt -144.29 154.37 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.72 143.76 44.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 48' ' ' ILE . 24.4 pt -111.22 165.02 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.51 113.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.21 -145.67 15.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 171.57 22.11 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -59.19 128.36 36.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.39 -53.69 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.29 155.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.495 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.0 m -66.44 139.95 96.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.94 156.2 43.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -93.2 -30.69 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.43 -138.51 3.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -73.93 70.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.37 109.9 4.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -81.31 54.46 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.28 164.93 12.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.461 1.1 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.413 HG23 ' HB ' ' A' ' 32' ' ' ILE . 11.0 mm -92.8 117.38 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 42.1 m-85 -119.4 152.14 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.609 HG21 HG23 ' A' ' 53' ' ' VAL . 28.7 mm -69.28 129.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -97.74 -29.35 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -157.99 151.13 23.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.609 HG23 HG21 ' A' ' 50' ' ' ILE . 4.1 t -130.9 124.61 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 m -58.66 120.96 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -48.05 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.92 38.73 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.28 -179.35 21.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -34.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.691 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -55.19 -61.66 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.28 -46.0 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -60.48 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.63 -40.62 40.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.62 30.24 2.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.691 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -76.96 155.95 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -142.13 133.91 27.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 56.7 t -56.51 135.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.06 7.55 60.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.11 125.69 28.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.3 tttm -84.58 93.95 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.836 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -54.32 124.89 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 102' ' ' TRP . 19.6 mt -103.97 -44.34 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.4 mt-10 -142.45 159.64 41.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.979 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.5 t -146.02 99.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER 75.84 11.48 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.32 -25.27 11.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.979 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.5 p -68.39 136.42 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.97 122.69 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.7 25.97 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.33 97.71 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.37 36.72 33.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.31 150.1 22.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -67.83 164.55 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -51.11 -55.34 18.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.479 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 31.9 p-80 -50.01 -53.98 23.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 3.1 mt-10 -43.75 -47.81 7.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.07 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.5 t -41.37 -54.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -48.38 62.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.563 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.1 mt -67.09 -57.48 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -32.37 72.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.75 91.79 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.799 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -171.29 139.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.78 -165.17 32.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 19.5 p -40.61 -81.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.75 113.74 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.799 HG22 ' HB1' ' A' ' 93' ' ' ALA . 69.7 t -109.06 120.5 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -101.04 131.36 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.631 ' HG2' HG22 ' A' ' 73' ' ' VAL . 3.8 mtm -131.38 117.62 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 7.2 ttt180 -88.23 105.02 17.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.836 HG12 HD22 ' A' ' 70' ' ' LEU . 28.2 m -102.73 162.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.671 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.8 t90 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.755 ' HB3' HD11 ' A' ' 17' ' ' LEU . 5.3 ttm-85 -157.21 157.02 33.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.448 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -89.99 138.6 31.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.2 t -58.76 99.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.81 -164.18 21.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.36 12.92 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 m -161.14 -61.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -60.36 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.23 143.4 22.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -54.23 162.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.079 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.65 -155.39 9.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.44 157.79 42.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -71.43 166.78 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.95 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.13 153.89 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -158.04 83.2 2.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -174.82 2.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.806 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.87 166.41 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.31 162.33 14.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 mm -114.31 141.96 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -176.02 136.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.546 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 66.9 mt-10 -48.29 164.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.0 pt-20 -123.08 167.91 13.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.526 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mt-10 -86.31 133.41 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -138.25 153.24 49.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -134.91 117.32 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -102.54 158.85 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.9 m -125.12 118.3 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.887 HG21 HD22 ' A' ' 28' ' ' LEU . 6.9 mt -108.35 153.3 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 22' ' ' LEU . 6.7 mt -116.17 140.86 48.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 15.3 ttt180 -97.35 145.38 26.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -140.79 -63.42 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.24 130.55 11.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.8 -69.02 2.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.14 -161.04 32.19 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.887 HD22 HG21 ' A' ' 21' ' ' ILE . 16.6 mt -71.38 -159.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -152.59 65.99 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.549 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -146.71 162.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.423 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 12.2 m -120.64 136.33 54.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.825 HD13 HD11 ' A' ' 90' ' ' LEU . 27.7 pt -114.67 154.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.68 153.27 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.21 -149.48 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.91 142.34 10.6 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -48.1 137.47 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.85 -48.74 2.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.7 p -76.89 173.26 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.664 HG23 ' HD2' ' A' ' 40' ' ' PRO . 7.2 m -69.48 145.39 95.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 141.98 27.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -81.61 -26.02 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -119.04 -170.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 99.69 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t0 44.4 42.98 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -113.61 92.54 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -77.24 57.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.12 169.49 14.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -91.18 106.29 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.0 m-85 -112.87 154.69 25.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.528 HG21 HG23 ' A' ' 53' ' ' VAL . 51.2 mm -71.14 126.33 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -24.43 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' N ' ' HB2' ' A' ' 31' ' ' SER . 5.5 ttm180 -163.85 155.94 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.528 HG23 HG21 ' A' ' 50' ' ' ILE . 3.5 t -133.31 103.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.64 108.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.66 -54.76 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.63 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.65 179.54 16.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.26 6.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.892 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -61.26 -56.04 25.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -69.28 -47.89 63.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.25 -40.87 35.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.48 31.44 1.99 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.892 HG11 ' HB1' ' A' ' 59' ' ' ALA . 10.0 p -82.08 148.57 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.42 141.58 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.404 HG23 ' HB ' ' A' ' 53' ' ' VAL . 49.7 t -62.58 137.88 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.29 7.82 63.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.83 128.11 33.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 22.8 tttm -89.91 101.23 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.999 HD21 HG23 ' A' ' 73' ' ' VAL . 3.9 tt -59.29 147.55 35.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.929 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.4 mt -129.52 -41.57 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.4 mt-10 -136.05 157.47 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.999 HG23 HD21 ' A' ' 70' ' ' LEU . 1.8 t -147.79 98.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER 76.27 10.36 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -25.22 11.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.8 p -67.49 134.82 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.14 122.72 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 86' ' ' ALA . 29.2 mt -116.32 37.73 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.77 105.51 7.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.96 80.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.86 157.66 21.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.3 168.03 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -54.65 -59.91 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.469 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 34.1 p-80 -46.21 -53.25 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 84' ' ' HIS . 3.2 mt-10 -44.74 -46.45 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -64.48 -61.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' A' ' 90' ' ' LEU . 46.6 t -42.6 -60.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -49.82 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.506 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -64.83 -38.36 90.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.825 HD11 HD13 ' A' ' 32' ' ' ILE . 12.5 mt -64.76 -60.99 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -57.72 -26.5 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.09 93.27 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -176.82 144.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.37 -164.69 39.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 1.4 m -41.96 -71.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.405 ' HA ' HD23 ' A' ' 22' ' ' LEU . . . -74.72 115.06 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 93' ' ' ALA . 75.4 t -112.91 118.59 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.63 139.05 39.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.911 ' HG2' HG22 ' A' ' 73' ' ' VAL . 49.0 mtm -144.25 123.07 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -88.74 103.68 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.67 150.65 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.929 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.0 t90 -106.02 124.14 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.475 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 50.6 ttp85 -156.69 155.72 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 8.2 tp10 -85.95 141.79 29.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.2 t -97.53 103.89 15.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -128.21 167.26 20.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.83 40.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.48 96.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.2 98.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -133.32 153.01 51.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.43 152.07 29.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.38 100.87 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.08 169.36 18.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -161.1 159.75 29.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.81 89.73 1.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.68 151.24 67.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.4 9.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.02 97.31 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 157.51 33.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.0 mt -123.53 135.46 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -176.89 134.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.531 ' HB2' ' CE2' ' A' ' 102' ' ' TRP . 5.6 mt-10 -44.89 165.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.6 pt-20 -120.86 163.04 18.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.637 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.1 mt-10 -82.07 139.61 34.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -139.52 161.91 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 m -133.75 122.18 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -117.59 149.26 40.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.1 m -123.91 122.76 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.665 HD13 HD13 ' A' ' 28' ' ' LEU . 8.6 mt -106.59 152.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 22' ' ' LEU . 4.0 mt -104.94 134.73 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 7.9 ttt180 -94.22 157.15 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.0 mt-30 -166.17 99.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 25' ' ' THR . 9.7 t 37.61 47.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.05 152.46 6.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.45 -143.57 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.665 HD13 HD13 ' A' ' 21' ' ' ILE . 5.7 mt -102.86 -177.44 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.44 62.66 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.619 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -145.35 154.15 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -112.05 133.74 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 90' ' ' LEU . 18.0 pt -109.81 159.32 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.57 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.3 -125.36 6.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.67 129.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -40.24 149.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.74 -61.22 4.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -69.7 175.47 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 0.717 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 6.2 m -72.21 134.69 82.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.01 136.81 20.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.42 -34.99 67.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -105.42 -171.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.81 -89.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -126.26 55.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.53 101.14 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -77.87 57.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.93 167.5 21.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.0 mm -91.71 108.11 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.5 m-85 -112.61 154.95 25.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.573 HD11 ' OD2' ' A' ' 68' ' ' ASP . 35.5 mm -68.32 137.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t -104.51 -40.28 6.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -153.34 143.54 22.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 30' ' ' ILE . 12.5 t -128.51 99.32 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -63.74 107.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -45.76 -44.85 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.2 59.38 5.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.97 179.38 21.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -33.66 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -64.03 -59.86 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -40.08 -40.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.79 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.74 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.22 27.48 5.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.709 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -68.32 151.78 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mtt85 -140.06 131.06 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -50.95 147.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.87 -18.05 56.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.573 ' OD2' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.28 129.26 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 38.3 tttm -95.16 90.49 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.524 HD21 ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.99 133.2 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' ' 102' ' ' TRP . 28.6 mt -113.87 -36.55 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -155.2 147.51 23.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.986 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.4 t -134.96 114.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.403 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 1.4 t30 76.09 3.96 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.69 15.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.82 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 118.74 19.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.457 HD12 HG23 ' A' ' 73' ' ' VAL . 55.8 mt -102.91 35.0 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -91.57 80.58 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.08 -33.01 4.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.686 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -48.28 142.05 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.515 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 36.9 mt-10 -70.83 176.39 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -51.63 -62.29 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 82' ' ' GLU . 42.2 p-80 -42.04 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.686 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 6.2 mt-10 -46.51 -45.85 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -61.62 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.1 t -42.13 -55.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -43.95 -51.25 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 76' ' ' VAL . . . -63.91 -38.71 92.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' ' 32' ' ' ILE . 27.2 mt -63.0 -52.56 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -70.06 -26.68 64.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -89.85 67.86 2.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.855 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -156.56 151.3 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -97.27 -161.23 31.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.443 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 p -38.47 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -73.09 116.38 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.855 HG22 ' HB1' ' A' ' 93' ' ' ALA . 76.2 t -112.1 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.6 127.91 35.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.588 ' CE ' ' CD1' ' A' ' 28' ' ' LEU . 2.5 mtt -131.8 118.63 20.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 5.2 ttp180 -88.42 105.18 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.526 HG12 ' OD1' ' A' ' 68' ' ' ASP . 35.2 m -101.75 153.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.815 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.1 t90 -112.02 124.96 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -155.67 157.44 36.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 3.1 tm-20 -85.45 142.79 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.0 t -161.13 105.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.946 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.27 167.51 39.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.82 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -117.93 148.17 42.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.53 -59.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.71 113.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 p -96.04 167.26 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.14 142.49 19.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -156.96 167.7 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -60.73 130.91 48.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.49 -83.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.05 82.46 0.23 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.93 33.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.96 163.51 32.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -100.21 138.54 37.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -113.99 127.73 71.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -171.53 135.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.647 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.26 152.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' CG ' HD21 ' A' ' 17' ' ' LEU . 6.4 pt-20 -118.43 161.9 19.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.64 136.7 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.709 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.5 mt -132.43 163.83 27.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 105.34 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 tp -96.88 159.74 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m -134.76 121.31 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.565 ' CD1' ' HE3' ' A' ' 99' ' ' MET . 9.3 mt -110.84 151.5 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.0 mt -102.53 141.36 35.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.5 ttt-85 -82.26 98.24 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -109.05 -177.57 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 p -55.49 98.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.87 40.2 1.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 42.15 -126.13 4.09 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -93.62 -168.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.92 56.05 0.45 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.609 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -144.04 159.29 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -118.86 151.96 37.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.728 HG21 HD11 ' A' ' 90' ' ' LEU . 34.0 pt -119.53 162.29 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -162.56 133.63 4.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.3 -116.4 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.69 156.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -59.13 148.34 31.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.85 -60.58 4.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.03 170.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.49 HG23 ' HD2' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -70.9 142.0 87.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.49 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.96 122.69 7.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.816 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.18 -32.02 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -105.12 -79.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 178.3 113.24 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 3.0 t70 76.06 -58.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.03 100.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.44 164.18 15.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mm -92.42 109.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 5.6 m-85 -114.48 156.95 23.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.509 HG21 HG23 ' A' ' 53' ' ' VAL . 34.1 mm -69.0 125.41 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -91.48 -36.78 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 153.0 25.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 30' ' ' ILE . 5.0 t -131.13 100.19 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.5 m -49.08 111.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -49.84 -54.63 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.97 53.58 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.35 -177.66 14.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -39.39 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.899 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -58.23 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -47.99 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -50.12 -37.09 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 24.68 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.899 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.0 p -72.39 156.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -139.2 137.4 35.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 69.6 t -58.44 147.92 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.61 -24.26 28.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.61 131.36 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 45.0 tttm -91.87 98.65 11.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.076 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -58.26 130.54 47.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 102' ' ' TRP . 6.1 mt -112.11 -39.88 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.99 160.42 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.029 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.6 t -150.98 101.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 73.28 10.71 5.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.41 -21.76 18.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 1.029 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.9 p -69.71 137.77 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.83 122.17 28.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.77 43.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.08 72.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.67 -27.6 4.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.621 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -46.49 142.78 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' HB2' ' CE1' ' A' ' 84' ' ' HIS . 38.5 mt-10 -72.29 171.22 12.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -48.51 -56.58 7.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.644 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 85' ' ' GLU . 45.2 p-80 -52.48 -53.74 41.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.621 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 3.9 mt-10 -43.78 -50.18 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.76 10.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -41.88 -53.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -49.37 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -67.09 -46.4 74.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.728 HD11 HG21 ' A' ' 32' ' ' ILE . 19.6 mt -53.6 -52.24 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -24.56 63.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.56 92.16 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.729 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -176.02 137.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.04 -163.3 21.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 68.4 p -38.83 -80.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -71.7 116.59 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.729 HG22 ' HB1' ' A' ' 93' ' ' ALA . 87.1 t -108.87 116.76 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -95.15 131.6 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.677 ' HG2' HG22 ' A' ' 73' ' ' VAL . 13.2 mtm -133.54 118.02 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -88.24 105.42 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 1.076 HG12 HD22 ' A' ' 70' ' ' LEU . 33.1 m -101.56 167.16 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.735 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.8 t90 -120.33 126.19 49.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.709 ' HB3' HD11 ' A' ' 17' ' ' LEU . 4.7 ttm-85 -157.04 155.91 31.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 8.5 tt0 -87.97 126.4 35.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.78 89.53 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.57 164.6 34.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 120.84 6.24 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -92.68 144.28 25.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -174.57 169.43 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.2 pt-20 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.606 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 1.9 mp0 -38.17 147.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.526 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.1 pt-20 -116.72 166.89 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.563 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mt-10 -84.53 136.25 33.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.2 mt -137.0 151.62 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m -126.84 127.85 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -121.08 151.94 39.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m -118.25 120.61 38.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.709 ' CG2' HD22 ' A' ' 28' ' ' LEU . 8.0 mt -106.09 155.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 22' ' ' LEU . 5.6 mt -109.91 138.92 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.709 HD22 ' CG2' ' A' ' 21' ' ' ILE . 19.4 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.63 63.05 0.63 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.601 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -144.09 170.44 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -129.89 140.24 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.9 pt -115.56 155.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -152.73 148.92 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.49 -122.51 5.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 137.06 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -53.4 136.54 37.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.96 -45.13 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.06 174.78 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.965 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.7 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.8 m -68.36 145.42 97.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.7 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 162.07 37.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 80.6 t80 -90.61 -36.7 14.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -125.93 116.76 22.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.98 -147.59 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -90.53 68.07 6.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.59 104.07 7.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.75 56.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.11 167.65 13.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.11 107.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.1 m-85 -113.24 155.08 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HG23 ' A' ' 53' ' ' VAL . 37.1 mm -68.61 128.87 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 47.8 t -98.49 -25.22 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -161.42 155.21 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.565 HG23 HG21 ' A' ' 50' ' ' ILE . 3.8 t -135.03 100.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 70.4 m -45.91 116.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -52.08 57.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 72.64 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -141.14 -175.89 15.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -34.31 3.93 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.782 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.93 -57.85 8.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.63 -40.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -64.43 -50.69 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.33 -39.99 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.12 26.19 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.782 HG11 ' HB1' ' A' ' 59' ' ' ALA . 8.2 p -67.99 147.08 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.12 134.75 45.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 76.8 t -58.03 139.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.55 -13.53 62.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.67 128.68 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 37.7 tttm -88.17 100.12 12.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 102' ' ' TRP . 4.4 mt -116.84 -41.94 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -141.0 159.08 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.001 ' O ' HG12 ' A' ' 76' ' ' VAL . 8.7 t -149.34 105.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.418 HD22 HG13 ' A' ' 97' ' ' VAL . 0.4 OUTLIER 67.84 11.1 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.56 -22.88 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.0 p -68.64 141.43 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.04 118.46 26.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' A' ' 89' ' ' ALA . 28.1 mt -103.57 27.32 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.3 113.7 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.12 46.7 20.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.09 145.32 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 46.8 mt-10 -64.07 155.97 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -43.46 -58.18 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 7.8 p80 -48.53 -55.55 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.569 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.4 mt-10 -46.41 -49.86 17.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.33 -59.22 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.4 t -45.38 -57.37 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -53.56 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.611 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -46.25 -55.23 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.534 HD21 ' HE1' ' A' ' 99' ' ' MET . 28.3 mt -49.92 -52.96 29.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -39.21 56.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.64 88.53 1.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.956 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -174.58 135.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.5 36.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 p -38.2 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.76 122.6 23.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.956 HG22 ' HB1' ' A' ' 93' ' ' ALA . 75.8 t -120.45 118.89 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -95.76 131.23 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.537 ' HE1' HD11 ' A' ' 30' ' ' ILE . 1.2 mtt -130.47 119.96 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 2.6 ttt180 -93.3 105.39 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.005 HG12 HD22 ' A' ' 70' ' ' LEU . 27.8 m -101.66 164.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.767 ' HB2' HD11 ' A' ' 71' ' ' LEU . 7.5 t90 -116.61 125.46 51.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.606 ' HB3' HD11 ' A' ' 17' ' ' LEU . 12.8 ttm-85 -156.87 156.24 32.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 1.3 tt0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.596 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -38.58 155.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.615 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.5 pt-20 -125.01 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.684 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.8 mt-10 -85.9 138.38 32.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -140.11 151.33 45.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -129.74 116.61 19.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.348 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -105.57 159.45 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -135.66 114.69 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.43 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mt -103.24 156.01 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -105.84 100.17 9.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.8 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.51 53.53 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.712 HG22 ' HA ' ' A' ' 53' ' ' VAL . 22.2 pt -137.65 166.27 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.93 143.13 49.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 pt -113.44 156.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.15 112.28 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.54 -151.48 23.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.62 152.22 15.59 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -52.06 135.25 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.09 -56.8 4.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 111.038 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -55.42 160.37 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.453 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 61.1 m -67.69 140.46 94.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.02 -174.47 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 2.6 t80 -116.22 -32.31 5.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -104.83 -80.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.98 -151.23 6.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.08 64.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -125.1 118.59 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.84 53.28 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.0 164.82 18.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.1 126.82 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 17.3 m-85 -121.32 162.62 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 53' ' ' VAL . 12.8 mm -81.55 126.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -30.86 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -159.31 159.67 34.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.712 ' HA ' HG22 ' A' ' 30' ' ' ILE . 3.5 t -137.17 121.18 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.587 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.3 m -57.78 110.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.64 -51.89 44.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -107.34 42.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.08 -175.8 22.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.46 3.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -61.45 -58.33 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -76.42 -47.26 23.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.674 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.17 -39.85 30.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.61 29.92 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.847 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.2 p -80.63 157.1 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.95 136.31 30.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.414 HG23 ' HB ' ' A' ' 53' ' ' VAL . 54.0 t -58.4 140.61 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.38 78.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 131.99 52.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.1 tttm -92.89 97.61 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -55.49 126.45 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 102' ' ' TRP . 8.9 mt -106.67 -41.13 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.9 mt-10 -145.69 160.7 41.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.999 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.7 t -147.71 99.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.16 9.99 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.57 -22.91 14.23 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.999 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.2 p -71.54 135.48 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.8 120.5 25.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLN . 18.7 mt -97.18 -11.13 24.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.6 mt-30 -38.77 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.34 53.13 3.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -121.37 143.66 49.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 40.7 mt-10 -73.09 176.53 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.96 -52.35 65.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 9.2 p80 -53.31 -47.58 69.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.479 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 6.3 mt-10 -51.63 -40.04 59.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.05 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.6 t -50.28 -56.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -52.91 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.549 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -52.28 -59.03 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.4 mt -48.28 -48.33 35.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -55.17 -48.46 73.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.49 91.47 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.802 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -169.41 131.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.58 -167.58 14.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.449 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 22.7 m -41.19 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.5 106.57 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.802 HG22 ' HB1' ' A' ' 93' ' ' ALA . 55.8 t -100.97 108.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 124.57 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.44 ' HG2' HG22 ' A' ' 73' ' ' VAL . 6.7 mtm -130.43 115.14 16.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 11.2 ttm180 -89.0 106.65 18.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.005 HG12 HD22 ' A' ' 70' ' ' LEU . 34.3 m -102.0 169.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.742 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.6 t90 -126.75 123.97 38.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 108.03 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.58 ' HB3' HD11 ' A' ' 17' ' ' LEU . 35.4 ttm-85 -156.48 157.71 35.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.7 pt-20 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.608 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 19.3 mt-10 -38.77 146.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' CG ' HD21 ' A' ' 17' ' ' LEU . 5.4 pt-20 -117.26 166.86 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.59 135.42 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 103' ' ' ARG . 2.7 mt -131.01 155.14 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 m -127.86 128.75 45.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 mt -128.69 150.75 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -124.6 135.0 52.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.5 mt -118.53 152.14 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.49 113.61 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.48 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD12 HD22 ' A' ' 90' ' ' LEU . 30.4 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.93 61.52 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.592 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -141.04 161.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -118.18 134.91 54.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.3 163.72 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.5 165.94 34.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.01 -118.79 5.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.74 132.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -42.06 131.34 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.33 48.66 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.01 165.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.059 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.62 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.0 m -67.15 143.75 97.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.97 165.83 30.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -96.23 -35.36 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -84.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.19 -138.89 4.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.59 67.33 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -142.25 118.4 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.05 46.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.65 169.07 16.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.5 mm -94.31 116.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 11.9 m-85 -122.15 152.1 40.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.543 HG21 HG23 ' A' ' 53' ' ' VAL . 28.1 mm -68.84 132.92 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -103.89 -33.55 8.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.61 145.2 19.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.543 HG23 HG21 ' A' ' 50' ' ' ILE . 6.1 t -127.37 108.5 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 67.8 m -53.4 109.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -48.87 64.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -98.32 42.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.81 -178.47 18.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.471 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.01 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -55.42 -57.35 12.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -39.96 -49.69 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -50.99 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.28 19.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.14 28.39 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.5 p -71.77 152.74 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.401 ' NH1' ' NH1' ' A' ' 103' ' ' ARG . 73.7 mtt180 -133.73 144.15 48.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.445 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 48.1 t -67.96 138.61 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.5 1.25 64.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.46 124.12 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.513 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 16.4 tttm -85.16 95.63 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.599 HD11 HG21 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -54.57 140.97 33.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 102' ' ' TRP . 6.6 mt -120.95 -42.01 2.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.5 tm-20 -149.43 145.91 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.944 ' O ' HG12 ' A' ' 76' ' ' VAL . 20.9 t -137.56 112.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.483 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 78.19 3.61 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.7 -22.5 14.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.944 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.2 p -73.18 132.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.43 117.46 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.8 mt -105.48 36.96 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.81 108.43 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.81 29.72 70.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.29 151.67 19.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.42 168.48 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -54.74 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.617 ' CD2' ' N ' ' A' ' 85' ' ' GLU . 6.6 p-80 -47.51 -49.36 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.617 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 3.1 mt-10 -49.16 -44.56 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.08 -59.89 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.8 t -47.6 -57.97 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -55.56 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -53.28 -63.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 28' ' ' LEU . 15.2 mt -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -53.98 -51.1 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.96 83.01 0.84 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.91 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -168.91 135.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.585 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -85.19 -161.49 34.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.48 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.9 m -39.91 -81.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.29 107.69 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.91 HG22 ' HB1' ' A' ' 93' ' ' ALA . 56.1 t -107.19 107.63 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -77.15 126.04 30.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.2 mtm -127.1 115.4 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.463 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.9 ttt180 -94.73 104.89 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.63 164.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.795 ' HB2' HD21 ' A' ' 71' ' ' LEU . 4.6 t90 -115.91 129.17 56.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.796 ' HB3' HD11 ' A' ' 17' ' ' LEU . 18.0 ttp85 -157.28 152.84 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.5 pt-20 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.619 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 17.7 mt-10 -37.17 145.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' A' ' 17' ' ' LEU . 7.5 pt-20 -114.31 166.98 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -84.2 140.6 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.861 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -136.04 163.19 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -134.55 111.73 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 4.8 tp -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 m -134.88 133.74 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 11.2 mt -125.77 152.12 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 21' ' ' ILE . 2.3 mt -106.22 133.1 51.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.793 HD12 HD22 ' A' ' 90' ' ' LEU . 21.4 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.71 68.24 0.4 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.612 HD11 ' CE ' ' A' ' 99' ' ' MET . 1.6 pt -146.33 166.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 m -121.47 136.38 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 pt -114.09 163.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.14 130.1 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.05 -150.75 18.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.35 -160.78 22.12 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 37' ' ' GLY . 16.0 ttmm -73.31 -107.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -71.92 57.75 1.39 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t -138.84 170.96 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 7.8 m -70.72 135.23 85.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.3 Cg_endo -75.0 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' HA ' ' A' ' 51' ' ' SER . 50.3 t80 -110.6 -27.75 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.03 -71.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -147.43 -146.61 4.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -71.66 74.56 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -146.24 112.21 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.81 55.2 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.05 -177.51 17.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.2 mm -114.47 119.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.8 m-85 -122.05 157.35 31.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 24.2 mm -70.72 135.68 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.414 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -101.34 -40.08 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.84 154.44 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' A' ' 30' ' ' ILE . 5.1 t -131.28 97.28 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 m -49.65 107.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.91 -37.68 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.62 37.79 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.81 179.98 16.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.96 -33.44 4.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.799 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -60.63 -54.1 49.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.98 -47.83 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -50.8 70.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.95 -41.48 46.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.45 26.21 4.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.799 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.4 p -69.15 147.74 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -123.28 145.57 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.407 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 49.0 t -70.17 141.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.38 7.22 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 124.9 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.549 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.1 tttm -83.37 106.53 15.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.883 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -64.14 134.71 55.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 102' ' ' TRP . 7.9 mt -115.61 -41.91 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.54 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.002 ' O ' HG12 ' A' ' 76' ' ' VAL . 10.9 t -148.16 103.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.31 10.79 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.74 -22.12 15.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.002 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.2 p -69.54 136.79 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.48 117.48 23.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 mt -102.87 34.69 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -90.51 103.55 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.23 46.61 56.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.07 141.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 43.0 mt-10 -65.89 155.14 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -40.0 -56.02 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.3 p80 -52.05 -54.61 28.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 4.2 mt-10 -47.25 -48.33 24.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -57.37 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.4 t -47.41 -54.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.16 -51.81 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -46.67 -55.9 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.793 HD22 HD12 ' A' ' 28' ' ' LEU . 21.7 mt -49.28 -51.78 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -52.74 -35.43 56.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.56 82.33 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.883 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -170.95 161.29 6.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -120.0 -157.91 10.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -38.35 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.622 ' H ' HG23 ' A' ' 95' ' ' THR . . . -72.75 109.51 6.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.883 HG22 ' HB1' ' A' ' 93' ' ' ALA . 53.7 t -110.04 111.82 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.54 128.7 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.612 ' CE ' HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -129.46 115.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -89.29 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.883 HG12 HD22 ' A' ' 70' ' ' LEU . 27.7 m -102.03 162.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.769 ' HB2' HD11 ' A' ' 71' ' ' LEU . 10.2 t90 -114.86 125.67 53.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 108.039 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.861 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.3 ttm-85 -157.11 154.75 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.42 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 102' ' ' TRP . 5.7 mt-10 -51.02 159.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 17' ' ' LEU . 7.6 pt-20 -114.81 164.72 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -83.59 139.76 32.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -136.33 156.01 49.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -134.8 117.65 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -103.26 158.12 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 m -133.4 104.74 6.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.549 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 5.5 mt -93.96 155.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.8 mt -111.76 138.42 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' THR . 1.3 ttt-85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.82 64.78 0.47 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.606 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.2 pp -143.76 176.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.414 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 17.7 m -140.46 155.08 46.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.6 164.55 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -166.35 118.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.87 -153.54 20.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . 109.73 147.62 11.88 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -40.33 130.66 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.04 -55.28 3.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -65.03 158.47 25.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.713 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.7 m -66.6 146.32 99.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.3 -35.68 76.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.12 141.74 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.87 164.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.52 73.65 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -144.49 115.2 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -78.82 54.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.38 165.3 12.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 48' ' ' ILE . 21.9 mm -90.59 109.67 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 6.0 m-85 -113.2 156.19 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 53' ' ' VAL . 12.3 mm -69.26 139.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.65 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 23.8 t -107.03 -22.19 12.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' N ' ' HB2' ' A' ' 31' ' ' SER . 3.5 ttt85 -163.55 150.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.627 HG23 HG21 ' A' ' 50' ' ' ILE . 3.0 t -132.72 103.03 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 m -49.82 107.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -52.95 -54.41 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -94.17 50.25 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.64 179.43 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.86 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.79 -60.04 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -34.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.73 -48.41 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.15 -40.47 32.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.71 30.76 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.86 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.8 p -81.98 150.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -140.63 137.62 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 67.2 t -58.88 137.57 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.65 -5.6 76.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 123.17 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . 31.0 tttm -81.25 95.52 6.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -57.13 146.13 28.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.801 HD11 ' HB2' ' A' ' 102' ' ' TRP . 7.5 mt -123.85 -40.81 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.1 tm-20 -151.03 148.96 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.926 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.8 t -138.83 114.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 76.2 3.8 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.41 16.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.8 p -73.88 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.79 110.62 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 78' ' ' LEU . 16.8 mt -92.5 35.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -85.46 115.33 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.97 44.23 92.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.1 145.96 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.68 158.59 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -45.87 -55.83 6.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.5 p80 -51.74 -52.92 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.564 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 5.2 mt-10 -47.61 -42.97 25.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.52 -61.74 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.4 t -45.05 -59.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -57.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -47.75 -57.69 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -45.1 -54.99 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -51.51 -38.58 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.27 81.01 1.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 1.101 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -161.66 134.6 6.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.32 -162.81 37.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' ARG . 3.3 p -43.36 -50.37 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.45 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 1.101 HG22 ' HB1' ' A' ' 93' ' ' ALA . 53.6 t -111.35 113.4 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -95.87 127.35 41.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.549 ' HE2' ' CD1' ' A' ' 21' ' ' ILE . 1.3 mtm -125.99 114.48 18.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.5 ttt180 -93.11 104.43 16.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.2 m -107.03 159.37 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.801 ' HB2' HD11 ' A' ' 71' ' ' LEU . 13.6 t90 -110.55 125.88 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.751 ' HB3' HD11 ' A' ' 17' ' ' LEU . 1.7 ttm-85 -155.97 156.54 34.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.592 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 4.4 mt-10 -39.16 156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 6.5 pt-20 -122.06 168.75 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG2' HD13 ' A' ' 71' ' ' LEU . 1.9 mt-10 -88.94 134.23 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 1.7 mt -133.67 153.0 52.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 m -124.18 135.84 53.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -132.31 153.32 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.4 m -126.55 121.05 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.506 HG21 HD22 ' A' ' 28' ' ' LEU . 6.2 mt -105.32 153.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -102.84 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 4.5 ttt-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.506 HD22 HG21 ' A' ' 21' ' ' ILE . 13.7 mt . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.24 50.38 0.59 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pt -136.45 149.5 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 137.17 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.6 pt -106.78 161.12 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.28 -113.87 3.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.81 140.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -50.66 134.48 24.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.68 -57.18 0.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.95 168.52 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.8 146.42 99.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 158.85 41.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -91.87 -29.35 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.84 132.31 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.42 -150.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -96.72 62.28 1.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.77 115.61 20.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.61 49.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.43 165.75 16.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.9 mm -94.48 107.96 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 7.0 m-85 -109.65 164.11 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.434 HG21 ' CG2' ' A' ' 53' ' ' VAL . 14.6 mm -83.31 121.3 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -48.22 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.51 155.45 46.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 30' ' ' ILE . 15.4 t -133.26 106.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.9 m -52.15 110.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -53.84 17.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.41 83.62 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.02 -174.77 28.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.93 -38.46 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.561 ' CB ' HG23 ' A' ' 30' ' ' ILE . . . -58.79 -67.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HA ' HG12 ' A' ' 64' ' ' VAL . . . -55.03 -20.88 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 10.2 ttt85 -83.34 -10.01 58.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.3 -29.69 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.55 31.71 1.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 60' ' ' ALA . 6.0 p -76.83 157.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -141.83 135.39 29.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.74 137.73 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.21 -11.77 65.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -53.6 128.06 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 33.5 tttm -94.0 94.85 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.572 HD21 ' CG2' ' A' ' 73' ' ' VAL . 5.6 tp -50.15 147.12 4.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.75 HD21 ' HB2' ' A' ' 102' ' ' TRP . 17.2 mt -127.18 -41.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -142.18 166.35 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.019 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.1 t -152.69 98.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.34 10.46 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.59 21.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.9 p -79.29 128.5 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.71 115.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.534 HD12 ' CG2' ' A' ' 73' ' ' VAL . 38.2 mt -105.66 41.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.91 100.52 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.17 28.28 53.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.88 146.58 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 3.6 mt-10 -64.64 158.79 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.38 -58.52 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 14.9 p80 -44.26 -54.92 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.563 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.2 mt-10 -48.46 -49.66 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.17 -58.47 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.419 HG12 ' CD ' ' A' ' 91' ' ' ARG . 39.1 t -45.46 -58.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -50.48 57.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -48.05 -43.76 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 28' ' ' LEU . 50.1 mt -68.32 -48.76 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.419 ' CD ' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -52.22 -42.12 63.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -86.22 85.14 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.892 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -173.05 133.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 0.801 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -80.41 -163.73 29.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 3.5 m -38.86 -82.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 110.35 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.892 HG22 ' HB1' ' A' ' 93' ' ' ALA . 43.3 t -109.08 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.51 128.06 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 73' ' ' VAL . 7.1 mtm -133.64 120.74 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LEU . 1.4 ttt85 -92.84 105.72 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.0 m -102.16 152.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.75 ' HB2' HD21 ' A' ' 71' ' ' LEU . 4.2 t90 -104.4 127.76 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.43 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.36 157.64 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 2.1 tt0 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.1 pt-20 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 9.0 mp0 -38.19 149.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.581 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.7 pt-20 -120.5 167.44 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.561 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -85.04 139.34 31.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.581 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -137.94 154.49 49.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.437 HG22 ' HG2' ' A' ' 98' ' ' GLN . 1.4 m -127.12 105.63 8.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -93.51 163.05 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 m -135.51 123.9 23.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.602 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 8.9 mt -115.82 151.65 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 22' ' ' LEU . 3.4 mt -103.65 138.33 40.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HE ' HG21 ' A' ' 97' ' ' VAL . 5.6 mtt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.868 HD21 HG11 ' A' ' 97' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.27 57.67 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.923 HG22 HG22 ' A' ' 53' ' ' VAL . 1.3 pp -134.09 161.64 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.75 152.31 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 pt -114.82 156.26 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -155.9 121.15 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.71 -131.47 5.77 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.11 138.9 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -45.06 136.27 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.74 -58.7 1.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -70.11 168.26 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.654 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.3 m -66.79 144.87 98.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.95 146.31 32.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.784 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD2' ' HG3' ' A' ' 42' ' ' LYS . 88.4 t80 -77.71 -38.11 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.413 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 4.3 mtpt -127.0 120.76 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.1 -153.64 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -85.64 69.25 10.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.11 108.72 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.3 54.19 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.18 162.72 14.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.7 mm -90.07 112.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.5 m-85 -115.8 155.04 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.459 HG21 HG23 ' A' ' 53' ' ' VAL . 30.7 mm -68.54 130.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -92.82 -43.15 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.38 158.39 43.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.923 HG22 HG22 ' A' ' 30' ' ' ILE . 2.3 t -135.73 100.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -46.09 139.56 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.01 -48.68 34.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 4.9 pt-20 -101.06 51.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.55 175.92 16.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.17 6.44 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.85 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -64.54 -56.36 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.99 -42.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -65.38 -46.79 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -52.05 -42.24 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.47 29.86 2.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.85 HG11 ' HB1' ' A' ' 59' ' ' ALA . 7.1 p -75.79 158.46 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.402 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.2 mpt_? -141.52 141.16 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.15 142.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.44 -19.04 56.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' OD1' ' NE ' ' A' ' 103' ' ' ARG . 8.7 m-20 -48.45 119.03 2.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 26.1 tttm -79.22 96.26 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.722 HD21 ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -58.58 136.66 57.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.753 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.1 mt -116.5 -40.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -151.36 146.57 26.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.934 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.5 t -134.59 114.35 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.513 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.6 OUTLIER 77.54 3.51 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.85 -21.97 15.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.934 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.9 p -73.74 131.26 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.97 117.06 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.77 30.84 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -72.34 106.18 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.24 43.34 99.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.26 150.45 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.45 163.12 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -50.28 -60.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.545 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 9.7 p80 -46.38 -53.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.545 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.6 mt-10 -45.77 -47.12 15.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.68 -61.67 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.3 t -43.5 -60.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -57.45 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -48.57 -61.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -41.27 -54.75 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -50.6 -44.54 57.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.96 91.05 1.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.642 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -166.11 132.03 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.2 -164.8 18.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 p -39.2 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.451 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.47 109.88 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.868 HG11 HD21 ' A' ' 28' ' ' LEU . 96.7 t -94.0 114.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' A' ' 18' ' ' THR . 10.0 tt0 -89.11 130.68 35.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.722 ' SD ' HD21 ' A' ' 70' ' ' LEU . 2.9 mtm -131.39 116.15 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.435 ' O ' HD13 ' A' ' 70' ' ' LEU . 2.4 ttp180 -88.4 104.64 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.522 HG12 HD22 ' A' ' 70' ' ' LEU . 31.5 m -102.61 162.25 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.753 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.0 t90 -116.62 125.11 51.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 107.964 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.467 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -157.18 158.51 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 10.5 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.2 pt-20 . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.61 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 7.6 mp0 -38.18 150.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.57 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.8 pt-20 -121.72 165.33 15.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.1 mt-10 -84.87 137.74 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -136.19 155.99 49.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 m -134.38 116.05 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -104.29 161.12 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -135.53 105.9 6.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG1' ' CB ' ' A' ' 62' ' ' ALA . 3.7 mt -98.61 155.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.39 118.69 37.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.541 HD21 HG11 ' A' ' 97' ' ' VAL . 5.8 mp . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.31 58.56 0.39 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.737 HG22 HG22 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -135.46 160.56 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.29 135.59 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.0 pt -105.34 152.57 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.54 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.7 -134.16 6.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.48 146.36 13.92 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 6.9 ttpt -49.77 161.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 0.725 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . 48.15 51.36 20.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.68 173.59 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.724 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.4 m -73.71 145.69 84.75 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.97 179.35 6.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -117.61 -33.92 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.06 -69.5 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.8 -176.76 14.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 78.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.47 132.3 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.4 49.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.64 162.69 12.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -98.87 114.55 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.51 151.87 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.566 HG21 ' CG2' ' A' ' 53' ' ' VAL . 10.2 mm -73.7 129.46 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.61 -44.1 8.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -145.94 150.97 37.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 30' ' ' ILE . 14.4 t -136.83 109.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -63.93 108.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.32 -27.98 62.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -103.47 27.92 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.82 179.46 19.64 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -65.06 -57.1 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.83 -38.46 7.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -67.68 -50.58 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.6 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -47.86 -36.39 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.67 29.71 2.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.674 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.1 p -78.1 157.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.1 140.12 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 52.9 t -63.8 136.12 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.68 -12.19 67.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.29 132.82 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -93.28 100.07 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.59 HD21 ' CG2' ' A' ' 73' ' ' VAL . 5.3 tp -55.44 143.16 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.774 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.0 mt -123.87 -40.68 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.43 166.27 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.025 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 t -150.98 99.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.575 ' ND2' ' HB1' ' A' ' 93' ' ' ALA . 0.3 OUTLIER 73.32 6.65 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.15 -10.24 22.59 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.025 HG12 ' O ' ' A' ' 73' ' ' VAL . 8.7 p -83.71 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.1 115.55 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 81' ' ' ALA . 21.7 mt -99.63 -16.95 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -36.18 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.14 43.38 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 78' ' ' LEU . . . -107.82 155.17 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.471 ' CG ' ' HE3' ' A' ' 36' ' ' LYS . 22.9 mt-10 -81.18 166.12 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -52.13 -52.21 53.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 13.4 p80 -53.71 -50.35 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.535 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 7.0 mt-10 -50.18 -47.75 54.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.79 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.16 -56.79 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -54.76 27.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.758 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -44.87 -51.48 9.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 mt -52.32 -51.96 55.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.41 -52.0 63.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.32 85.31 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.575 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -165.68 131.2 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.3 -170.31 0.74 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 67.2 m -43.12 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.61 113.23 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.541 HG11 HD21 ' A' ' 28' ' ' LEU . 48.3 t -95.17 106.58 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -84.46 125.79 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.6 mtm -129.58 121.18 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.441 ' O ' HD12 ' A' ' 70' ' ' LEU . 4.3 ttp180 -95.11 104.56 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.46 157.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.774 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.4 t90 -111.87 126.36 55.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.028 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.708 ' HB3' HD11 ' A' ' 17' ' ' LEU . 17.4 ttm-85 -157.2 155.21 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.611 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.91 157.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.578 ' HG3' HD21 ' A' ' 17' ' ' LEU . 8.2 pt-20 -122.83 165.61 16.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.506 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.2 mt-10 -84.46 139.13 32.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.578 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -136.8 163.18 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 98' ' ' GLN . 3.7 m -134.96 112.03 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 9.3 tp -100.15 160.63 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -134.87 121.34 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.6 mt -112.87 152.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 95' ' ' THR . 5.8 mt -111.66 139.87 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.787 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.09 68.82 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.692 HG22 HG22 ' A' ' 53' ' ' VAL . 8.9 pt -146.0 169.07 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.2 m -124.11 149.46 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 pt -122.17 166.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.69 127.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.59 -132.49 7.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.98 150.95 25.8 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -44.38 148.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.98 55.79 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.13 168.73 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.933 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.606 HG23 ' HD2' ' A' ' 40' ' ' PRO . 8.7 m -73.8 143.76 81.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.06 153.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 89.2 t80 -88.7 -32.13 18.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -123.89 -78.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -118.53 -178.82 17.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -64.62 78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.2 m-20 -137.22 116.48 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.48 54.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.51 175.89 18.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.6 mm -99.88 125.06 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -120.54 151.78 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.568 ' CG2' HG23 ' A' ' 53' ' ' VAL . 30.3 mm -68.53 124.63 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.58 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 30.6 t -92.43 -37.0 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -154.43 152.7 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 30' ' ' ILE . 3.3 t -137.47 95.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -51.0 108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.01 -21.51 31.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.39 28.65 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.62 -178.29 19.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.06 2.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.767 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -57.89 -53.65 55.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.44 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.34 35.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.51 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.93 3.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.767 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.6 p -82.42 154.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -135.68 139.5 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.31 144.84 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.33 -22.83 38.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 134.63 24.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 46.4 tttm -95.89 101.76 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.53 HD21 ' CG2' ' A' ' 73' ' ' VAL . 7.0 tp -56.59 147.15 23.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 102' ' ' TRP . 11.8 mt -127.45 -42.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.6 mt-10 -139.89 170.49 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.013 ' O ' HG12 ' A' ' 76' ' ' VAL . 6.6 t -152.82 100.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.423 ' ND2' ' HB1' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 68.51 10.92 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.66 -16.84 21.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.013 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.4 p -74.86 132.99 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.17 116.41 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 73' ' ' VAL . 23.5 mt -99.14 -4.21 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -76.26 91.9 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.31 -32.08 3.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -68.02 160.75 28.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 37.6 mt-10 -80.69 -177.1 6.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -61.53 -55.44 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.623 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 6.6 p80 -50.93 -49.52 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.619 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 3.1 mt-10 -49.35 -42.75 42.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -60.43 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.7 t -40.35 -59.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.94 -60.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -43.05 -58.67 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -44.6 -55.92 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -50.45 -51.87 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.73 87.75 0.74 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.78 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -174.69 128.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.16 -166.78 2.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.473 HG22 HD22 ' A' ' 22' ' ' LEU . 1.5 m -40.75 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.87 118.18 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.78 HG22 ' HB1' ' A' ' 93' ' ' ALA . 54.4 t -111.56 112.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 18' ' ' THR . 5.4 tt0 -89.15 123.04 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.632 ' HE1' HD11 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -125.01 127.02 46.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -97.38 104.41 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.74 154.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.76 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.8 t90 -106.8 125.98 51.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.466 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.59 157.44 35.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.0 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.598 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 6.3 mt-10 -37.82 154.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.578 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.2 pt-20 -121.91 167.37 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -83.8 140.95 31.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.578 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -137.76 161.18 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.481 HG22 ' HG2' ' A' ' 98' ' ' GLN . 1.4 m -134.72 106.07 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 6.9 tp -92.97 161.0 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 m -135.73 134.77 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.3 mt -128.62 152.79 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.5 116.12 31.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.6 ttp85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -136.64 55.47 0.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.723 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.1 pp -138.52 175.3 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -128.5 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.43 ' HB ' HG23 ' A' ' 48' ' ' ILE . 38.8 pt -132.71 158.17 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -144.13 163.86 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.36 -116.3 4.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . 61.06 127.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' GLY . 23.3 ttpt -40.27 108.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 45.91 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.9 167.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.532 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.1 m -69.88 141.0 89.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.532 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 159.88 40.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -93.76 -32.64 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -135.1 127.6 30.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.78 -149.2 1.12 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.17 64.75 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.26 124.29 40.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 50.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.16 165.82 17.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 48' ' ' ILE . 26.7 mm -96.12 112.13 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -116.18 153.92 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.433 HG21 HG23 ' A' ' 53' ' ' VAL . 11.0 mm -68.91 127.01 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.32 -30.2 12.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' HB2' ' A' ' 31' ' ' SER . 1.8 ttm180 -152.79 155.65 37.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.723 ' HA ' HG22 ' A' ' 30' ' ' ILE . 5.8 t -138.2 95.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 m -45.58 107.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -44.99 67.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.96 36.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.12 179.37 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.62 3.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -58.01 -56.41 22.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.25 -45.66 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -48.81 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.3 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.67 31.56 2.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -77.34 156.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -139.46 133.74 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 80.6 t -59.37 141.32 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 -6.36 60.51 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.411 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -68.32 133.59 48.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 39.4 tttm -91.2 106.81 18.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.055 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.12 133.48 51.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.769 HD21 ' HB2' ' A' ' 102' ' ' TRP . 4.5 mt -114.62 -40.64 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -143.85 159.3 42.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.019 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 t -150.45 99.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.615 ' ND2' ' HB1' ' A' ' 93' ' ' ALA . 0.4 OUTLIER 75.99 8.71 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.62 -20.91 17.46 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.1 p -74.19 131.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.12 118.29 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.2 mt -96.57 31.78 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -92.98 115.53 28.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.91 33.65 87.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.29 140.06 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 33.8 mt-10 -63.97 161.76 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -48.22 -55.39 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.8 p80 -50.69 -51.96 44.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 2.5 mt-10 -48.48 -50.46 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.86 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.73 -53.28 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -53.52 10.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.62 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -57.74 -45.82 85.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.54 -45.63 84.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -18.18 60.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 93' ' ' ALA . . . -105.24 93.54 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.615 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -179.19 134.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.1 -162.89 3.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.2 m -46.5 -81.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 105.07 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.524 HG22 ' HB1' ' A' ' 93' ' ' ALA . 54.8 t -101.25 109.46 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.481 ' HG2' HG22 ' A' ' 18' ' ' THR . 6.1 tt0 -89.17 125.67 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.07 115.41 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 6.9 ttt180 -88.03 104.81 17.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.055 HG12 HD22 ' A' ' 70' ' ' LEU . 29.8 m -103.94 164.96 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.769 ' HB2' HD21 ' A' ' 71' ' ' LEU . 10.9 t90 -117.78 124.64 48.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.516 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.73 160.44 39.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.608 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 89.7 mt-10 -45.08 156.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.637 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.7 pt-20 -112.86 170.27 8.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.881 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -86.76 145.05 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.881 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -143.99 158.86 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 98' ' ' GLN . 7.5 m -135.18 115.39 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -100.95 160.67 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -135.5 119.74 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.512 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 5.0 mt -108.12 152.32 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -108.24 109.75 21.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.2 ttt180 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.07 56.84 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pp -142.73 155.78 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 136.87 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 pt -101.93 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 51' ' ' SER . . . -140.63 111.49 7.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -161.15 23.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.91 148.35 7.14 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -40.56 136.08 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 0.795 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 -54.57 4.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.69 170.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.749 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.6 m -73.22 146.42 86.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.749 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.95 155.31 43.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.45 -33.98 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 5.0 tttt -86.84 -78.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.16 -91.26 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.42 28.44 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.92 118.97 38.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -87.76 44.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.99 167.05 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 48' ' ' ILE . 22.4 mm -95.58 106.7 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 41.1 m-85 -112.33 154.54 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.573 HG21 ' CG2' ' A' ' 53' ' ' VAL . 45.7 mm -73.44 130.01 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 59.6 p -100.62 -32.37 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.59 147.93 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.593 HG22 HG22 ' A' ' 30' ' ' ILE . 9.5 t -135.2 109.14 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 m -46.07 109.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.79 -49.82 57.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.31 35.1 2.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.71 178.41 28.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.17 6.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -59.25 -60.7 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.58 -41.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -63.27 -48.59 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -50.16 -38.09 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.01 29.69 1.94 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.69 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.8 p -81.97 158.78 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -142.37 155.39 45.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.34 120.07 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.86 8.64 34.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.475 ' HB2' ' CG1' ' A' ' 50' ' ' ILE . 7.9 m-20 -71.24 126.99 31.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.0 tttt -85.72 97.35 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -60.78 127.15 30.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 102' ' ' TRP . 3.9 mt -108.31 -39.69 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -147.21 160.3 42.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.052 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.2 t -148.05 107.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 m120 66.76 9.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.47 -19.35 19.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.052 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.5 p -71.43 139.27 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.75 119.27 25.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.516 HD22 ' HA ' ' A' ' 86' ' ' ALA . 25.3 mt -104.18 33.18 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.32 115.52 28.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.75 33.88 63.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.42 144.27 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 2.4 mm-40 -64.12 155.09 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -43.83 -58.12 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 10.1 p80 -47.2 -54.98 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 2.5 mt-10 -47.68 -49.6 27.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.516 ' HA ' HD22 ' A' ' 78' ' ' LEU . . . -64.79 -56.8 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.1 t -48.08 -57.28 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -53.31 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 1.025 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -45.68 -54.67 7.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -51.3 -52.3 46.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.72 -44.93 63.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.55 85.64 1.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.651 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -168.59 136.09 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -81.06 -155.4 12.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 34.0 m -53.22 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.26 102.91 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.651 HG22 ' HB1' ' A' ' 93' ' ' ALA . 94.7 t -97.96 121.59 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 18' ' ' THR . 2.2 tt0 -99.12 127.88 45.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.515 ' HE1' HD11 ' A' ' 30' ' ' ILE . 4.0 mtm -130.6 115.62 16.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 2.3 ttm180 -88.57 105.86 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.917 HG12 HD22 ' A' ' 70' ' ' LEU . 26.8 m -102.18 169.63 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.78 ' HB2' HD11 ' A' ' 71' ' ' LEU . 11.0 t90 -125.15 125.33 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 107.971 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.832 ' HB2' HD11 ' A' ' 17' ' ' LEU . 5.3 mtp-105 -155.49 157.84 37.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.332 -0.247 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.615 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -37.77 155.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 5.2 pt-20 -122.31 168.51 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 mt-10 -87.77 132.61 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 103' ' ' ARG . 4.4 mt -135.33 160.58 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -126.79 141.73 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.7 mt -132.81 161.08 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 m -135.2 134.3 39.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 28' ' ' LEU . 9.9 mt -122.51 153.68 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.58 120.39 40.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 21' ' ' ILE . 43.1 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.86 61.12 0.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.548 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -143.09 162.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -119.89 142.73 48.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.0 pt -114.41 164.89 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.23 136.92 3.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.87 -107.69 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.61 -129.13 10.84 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -129.15 136.88 50.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.65 -57.58 3.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.47 168.27 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.645 HG23 ' HD2' ' A' ' 40' ' ' PRO . 5.2 m -71.22 144.84 90.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.98 141.98 27.37 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.85 -31.95 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.401 ' HD3' ' CE2' ' A' ' 49' ' ' PHE . 12.0 ptmt -163.24 131.74 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.6 165.89 0.55 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -73.97 73.31 1.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -141.37 107.22 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -75.53 56.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.22 170.92 14.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mm -96.77 112.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 5.3 m-85 -116.94 151.4 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.446 HG21 HG23 ' A' ' 53' ' ' VAL . 39.5 mm -68.77 126.5 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -94.5 -35.58 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -154.66 151.15 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.446 HG23 HG21 ' A' ' 50' ' ' ILE . 8.8 t -128.74 105.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 m -45.79 106.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -55.79 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -108.28 66.84 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.54 -173.49 13.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -34.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.85 -57.32 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.52 -42.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -63.7 -48.46 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -51.6 -37.1 48.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.57 32.52 2.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.855 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.8 p -81.27 151.44 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HB2' ' NH2' ' A' ' 103' ' ' ARG . 98.1 mtt180 -141.45 132.8 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -51.75 138.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.47 -25.63 22.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.556 ' OD2' HG21 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -51.79 139.3 21.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 44.3 tttm -104.04 94.17 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.083 HD21 HG23 ' A' ' 73' ' ' VAL . 2.3 tt -51.33 149.53 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.2 mt -131.53 -42.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.404 ' OE2' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -137.06 154.61 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.083 HG23 HD21 ' A' ' 70' ' ' LEU . 2.0 t -144.71 101.29 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.28 6.44 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.19 -19.42 17.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.021 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.8 p -73.52 129.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.353 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HA ' ' OE2' ' A' ' 72' ' ' GLU . . . -75.76 119.89 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 86' ' ' ALA . 29.7 mt -113.6 45.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.36 105.08 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.77 34.71 88.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.7 167.56 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.45 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 5.5 mm-40 -75.83 149.59 37.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -50.72 -36.72 37.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 85' ' ' GLU . 6.5 p-80 -65.33 -44.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.597 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.527 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 4.0 mt-10 -58.91 -43.9 91.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -62.26 -55.81 24.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.75 -56.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -53.79 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.585 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -51.73 -53.78 35.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -50.61 -54.79 20.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -49.7 -43.13 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.98 91.58 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.954 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -169.88 133.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -81.45 -161.61 27.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.462 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 m -44.66 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.29 106.12 5.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.954 HG22 ' HB1' ' A' ' 93' ' ' ALA . 76.5 t -101.9 116.15 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -95.08 136.01 35.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.768 ' HG2' HG22 ' A' ' 73' ' ' VAL . 67.6 mtm -142.08 121.66 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' LEU . 4.6 ttt180 -88.2 107.04 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.556 HG21 ' OD2' ' A' ' 68' ' ' ASP . 33.5 m -101.08 151.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.767 ' HB2' HD11 ' A' ' 71' ' ' LEU . 4.8 t90 -104.43 124.42 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.503 ' HB3' HD12 ' A' ' 17' ' ' LEU . 23.8 ttm180 -156.89 149.42 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 103' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.593 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 20.7 mt-10 -39.18 148.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 7.8 pt-20 -116.58 165.58 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 1.1 mp0 -86.05 139.74 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.9 mt -134.36 154.05 51.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -127.37 113.36 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.48 150.93 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 5.9 m -127.6 110.06 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' VAL . 4.6 mt -98.44 158.99 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.021 HD12 ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -110.39 130.45 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 1.021 ' N ' HD12 ' A' ' 22' ' ' LEU . 5.2 ttt-85 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.549 ' CD1' HD22 ' A' ' 90' ' ' LEU . 54.9 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.75 54.16 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.746 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pp -146.62 156.08 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 t -117.44 145.76 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.8 157.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -155.1 150.24 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.55 -138.26 13.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.5 -125.92 6.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -131.58 130.14 41.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.69 -55.52 4.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 173.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 32.5 m -68.59 135.84 90.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.2 Cg_endo -75.01 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -96.05 -34.05 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -103.61 -79.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -140.05 -144.85 4.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -75.54 71.8 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.03 110.13 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 56.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.83 159.29 14.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mm -92.51 127.37 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.9 m-85 -130.06 156.85 43.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.53 HG21 HG23 ' A' ' 53' ' ' VAL . 19.2 mm -69.12 132.78 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 t -101.43 -33.96 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.12 153.38 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.746 HG22 HG22 ' A' ' 30' ' ' ILE . 3.1 t -137.85 107.19 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -54.96 133.61 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -53.79 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.33 55.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.13 179.42 16.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.96 -40.98 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.812 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -54.11 -57.88 9.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.58 -49.54 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -54.76 -53.64 52.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.53 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.32 32.83 5.08 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.11 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.812 HG11 ' HB1' ' A' ' 59' ' ' ALA . 8.5 p -76.57 156.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.07 134.87 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.26 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.01 142.36 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.08 -4.25 70.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.38 127.01 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.321 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 14.0 tttm -84.79 100.61 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.513 HD11 ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -63.13 142.53 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.865 HD11 ' HB2' ' A' ' 102' ' ' TRP . 4.9 mt -123.49 -42.99 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -147.02 148.75 32.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.977 ' O ' HG12 ' A' ' 76' ' ' VAL . 21.2 t -137.38 113.46 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER 77.48 3.6 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.322 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -21.83 14.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.95 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.68 117.64 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 86' ' ' ALA . 43.9 mt -107.31 35.25 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -54.77 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.58 45.74 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.81 151.3 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 28.0 mt-10 -79.96 174.84 11.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -54.38 -60.02 3.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.543 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 6.8 p80 -48.7 -52.87 21.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.58 -42.87 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -65.09 -58.22 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.14 -57.27 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.72 -56.54 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.777 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -53.21 -56.55 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.549 HD22 ' CD1' ' A' ' 28' ' ' LEU . 13.5 mt -46.77 -55.05 8.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -49.81 -45.12 49.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.25 65.48 3.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -147.04 122.45 10.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.76 -162.12 2.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.43 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 15.1 p -47.66 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 107.23 3.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ILE . 49.5 t -101.01 143.82 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' ASN . 26.5 tt0 -120.85 138.96 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.611 ' HE1' HD11 ' A' ' 30' ' ' ILE . 2.3 mtm -139.07 124.75 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' LEU . 20.2 ttt180 -100.67 104.48 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -105.45 153.98 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.865 ' HB2' HD11 ' A' ' 71' ' ' LEU . 18.8 t90 -105.77 123.79 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 17' ' ' LEU . 11.1 ttm-85 -156.84 159.59 38.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.437 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 18.7 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.621 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 8.1 mt-10 -38.8 153.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.568 ' CG ' HD21 ' A' ' 17' ' ' LEU . 7.7 pt-20 -121.33 165.29 15.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.95 136.7 33.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -134.44 165.9 24.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -134.5 108.88 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tp -96.01 160.07 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 6.9 m -136.25 134.58 38.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.665 HG21 HD22 ' A' ' 28' ' ' LEU . 10.3 mt -128.06 152.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.88 111.05 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.665 HD22 HG21 ' A' ' 21' ' ' ILE . 18.7 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.57 57.47 0.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.558 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.1 pt -143.19 139.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.52 139.15 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -113.1 157.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -154.45 130.77 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.78 -150.25 17.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.95 160.09 16.66 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -62.11 145.33 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -59.84 4.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 170.8 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 0.9 OUTLIER -67.14 142.17 96.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.394 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.97 156.26 43.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 49' ' ' PHE . 85.8 t80 -88.15 -33.4 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.78 115.38 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.0 -166.21 0.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.26 73.6 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.41 113.93 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -79.56 54.11 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.89 167.37 12.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.0 mm -101.13 117.3 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.514 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 7.2 m-85 -114.69 154.42 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.505 HD11 ' OD2' ' A' ' 68' ' ' ASP . 38.5 mm -68.36 133.14 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.51 -45.9 5.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.04 136.48 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.479 ' HA ' HG22 ' A' ' 30' ' ' ILE . 22.2 t -107.55 100.42 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.48 117.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.02 59.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -97.22 59.59 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.26 -179.33 16.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.95 -48.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -47.3 -56.02 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.41 -50.45 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -53.37 -49.56 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 20' ' ' THR . . . -53.07 -40.7 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.58 31.68 2.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.69 HG11 ' HB1' ' A' ' 59' ' ' ALA . 11.6 p -68.52 157.3 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.47 141.47 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 77.3 t -61.52 146.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.58 -26.19 19.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.505 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -40.47 129.51 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 28.6 tttm -98.44 89.58 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.812 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -48.28 132.29 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 102' ' ' TRP . 20.3 mt -113.04 -41.92 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.4 mt-10 -144.73 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.986 ' O ' HG12 ' A' ' 76' ' ' VAL . 10.0 t -147.89 100.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.69 10.56 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.43 -19.41 19.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.4 p -72.8 136.77 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.42 117.18 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.442 HD11 HG21 ' A' ' 73' ' ' VAL . 21.7 mt -97.62 -15.38 20.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.69 89.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.72 28.38 4.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.42 145.66 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 13.6 mt-10 -70.58 164.27 25.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' ALA . 3.5 t60 -46.35 -64.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.5 p80 -42.35 -54.89 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.541 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.9 mt-10 -49.84 -40.47 42.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 89' ' ' ALA . . . -66.78 -59.73 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 91' ' ' ARG . 72.5 t -47.59 -57.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.42 -51.53 19.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -45.59 -47.32 14.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.578 HD22 HD12 ' A' ' 28' ' ' LEU . 33.8 mt -64.83 -49.03 72.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.427 ' HD2' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -51.37 -39.61 57.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.11 88.1 1.39 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.648 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -173.08 141.56 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.414 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -81.57 -170.69 44.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 96' ' ' ALA . 80.3 p -39.1 -79.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.436 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -66.31 108.09 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.648 HG22 ' HB1' ' A' ' 93' ' ' ALA . 68.2 t -105.97 115.57 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.72 131.29 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.48 ' SD ' HD21 ' A' ' 90' ' ' LEU . 5.6 mtm -132.86 122.77 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 3.2 ttm180 -87.75 105.14 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.812 HG12 HD22 ' A' ' 70' ' ' LEU . 35.8 m -102.14 155.41 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.721 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.8 t90 -112.33 126.81 55.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.753 ' HB3' HD11 ' A' ' 17' ' ' LEU . 14.1 ttm-85 -156.98 156.08 32.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 10.4 mt-10 -38.0 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.0 pt-20 -121.39 167.92 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.3 mt-10 -86.19 135.31 33.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -136.41 150.39 48.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -120.32 129.8 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -125.1 152.24 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -127.52 130.12 48.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.9 mt -118.59 150.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 21' ' ' ILE . 1.5 mt -104.06 129.7 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.5 ttt180 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.825 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.43 70.48 0.44 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.684 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.7 pt -143.61 160.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -110.74 136.01 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 90' ' ' LEU . 44.3 pt -107.94 166.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.55 26.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.96 -134.35 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.46 147.45 8.47 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -51.61 145.51 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 0.792 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 49.98 69.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -171.25 166.06 7.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.451 HG23 ' HD2' ' A' ' 40' ' ' PRO . 1.7 m -70.43 138.81 86.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 5.0 t80 -98.38 -33.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.84 -80.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.28 -147.18 5.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.32 66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -143.2 113.88 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 53.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.16 163.45 12.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mm -95.93 118.4 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 9.4 m-85 -121.32 150.95 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.541 HG21 HG23 ' A' ' 53' ' ' VAL . 25.1 mm -68.62 128.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.43 -39.48 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -151.33 149.36 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.684 ' HA ' HG22 ' A' ' 30' ' ' ILE . 11.0 t -127.17 121.77 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.675 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 7.3 m -72.09 106.71 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.15 -35.86 72.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.36 22.73 7.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.04 -178.94 21.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.547 ' HA ' ' CD ' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -75.01 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -50.94 -43.83 60.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -54.55 -43.82 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.547 ' CD ' ' HA ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -58.74 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ARG . . . -40.64 -39.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.12 30.87 2.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 59' ' ' ALA . 6.6 p -69.61 160.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -141.96 137.79 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 55.6 t -61.11 137.41 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.93 61.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.32 115.81 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 44.5 tttm -78.61 95.83 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.692 HD21 ' CG2' ' A' ' 73' ' ' VAL . 6.4 tp -52.77 146.24 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 102' ' ' TRP . 15.3 mt -127.0 -41.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.6 mt-10 -139.66 163.77 31.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 76' ' ' VAL . 25.2 t -150.79 98.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.01 11.55 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.98 -21.83 15.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.033 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.0 p -71.24 134.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.04 117.04 21.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.642 HD12 ' CG2' ' A' ' 73' ' ' VAL . 41.5 mt -108.1 42.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.27 110.5 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 28.8 73.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -90.61 151.96 21.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 38.1 mt-10 -71.98 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -50.02 -53.03 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 12.5 p80 -50.43 -53.66 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.557 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.4 mt-10 -45.5 -50.14 13.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.02 -56.72 17.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t -48.8 -54.66 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -50.51 37.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -65.19 -37.36 87.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD11 HD13 ' A' ' 32' ' ' ILE . 24.4 mt -62.0 -49.19 77.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 92' ' ' GLY . 3.4 ptt180 -72.5 -27.37 62.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 91' ' ' ARG . . . -82.71 75.23 2.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.947 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -164.92 -176.35 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.642 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -138.37 -158.02 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.7 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -38.31 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.412 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.7 ' H ' HG23 ' A' ' 95' ' ' THR . . . -83.3 115.26 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.947 HG22 ' HB1' ' A' ' 93' ' ' ALA . 71.1 t -115.55 109.71 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -82.74 119.31 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.514 ' CE ' HD11 ' A' ' 30' ' ' ILE . 3.9 mtm -123.76 126.46 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.2 ttm180 -99.51 105.69 17.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -101.92 151.37 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.719 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.4 t90 -103.11 127.04 50.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.034 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.676 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.8 ttm-85 -156.71 155.25 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' GLU . 8.6 pt-20 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.598 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 5.5 mt-10 -38.38 157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.9 pt-20 -126.19 168.28 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 mt-10 -87.01 136.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -133.91 161.04 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 m -132.21 134.5 45.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -132.08 151.8 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -126.64 133.1 51.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 7.7 mt -118.06 150.16 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.02 117.97 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 9.0 ttt85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.51 65.59 0.42 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.635 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -144.13 151.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -116.25 142.82 46.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 90' ' ' LEU . 13.2 pt -116.11 159.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.51 134.99 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.29 -144.59 15.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.2 -130.03 5.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 37' ' ' GLY . 1.4 ttpp -86.39 -111.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . -71.57 57.67 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.42 169.42 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -68.58 129.39 92.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 148.88 35.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -73.44 -22.16 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -166.39 130.49 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.05 167.72 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.06 76.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.79 101.67 4.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.29 57.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.87 167.17 14.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.03 118.36 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.0 m-85 -119.47 154.58 33.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.434 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 20.8 mm -69.62 125.79 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.93 -38.59 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.84 154.19 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.554 HG22 HG22 ' A' ' 30' ' ' ILE . 11.7 t -134.49 101.9 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -48.28 107.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.01 -51.03 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -94.67 38.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.53 -179.58 21.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.645 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -51.58 -48.65 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.26 -42.29 30.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.13 -45.07 95.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.98 64.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.68 30.2 4.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.645 HG11 ' HB1' ' A' ' 59' ' ' ALA . 7.2 p -74.29 147.14 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -130.12 135.03 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 53.5 t -58.2 141.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.11 -16.5 59.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.91 137.46 45.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 11.8 tttt -99.37 92.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.505 HD11 ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -52.12 140.8 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 102' ' ' TRP . 12.3 mt -120.42 -42.43 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.4 tm-20 -149.75 149.12 30.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.996 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.0 t -137.85 114.42 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER 77.45 3.21 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -19.96 18.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 73' ' ' VAL . 11.8 p -76.29 130.55 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.94 117.2 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.7 32.67 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -87.31 79.02 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . . . 119.86 -31.7 5.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -39.75 136.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.98 163.4 12.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -41.51 -61.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 15.2 p80 -47.84 -55.59 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.571 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 4.4 mt-10 -45.78 -43.71 13.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.82 -61.58 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.1 t -46.14 -52.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.79 -54.58 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.452 ' CB ' HG11 ' A' ' 76' ' ' VAL . . . -62.14 -42.83 99.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.433 ' CD1' HD13 ' A' ' 32' ' ' ILE . 21.4 mt -55.71 -58.07 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -62.79 -25.76 68.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.54 92.47 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.866 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -172.6 162.78 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -104.06 -164.53 24.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.756 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -39.64 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.756 ' H ' HG23 ' A' ' 95' ' ' THR . . . -78.51 107.37 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.866 HG22 ' HB1' ' A' ' 93' ' ' ALA . 55.3 t -100.04 108.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.75 124.32 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.471 ' HE2' HD11 ' A' ' 21' ' ' ILE . 9.5 mtm -127.43 117.36 22.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LEU . 8.5 ttt180 -90.75 105.24 17.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.55 161.13 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.734 ' HB2' HD21 ' A' ' 71' ' ' LEU . 5.3 t90 -115.89 125.53 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.461 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.42 158.62 37.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.306 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' GLU . 11.4 pt-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.601 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 61.0 mt-10 -37.25 144.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.594 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.8 pt-20 -116.56 166.4 12.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.494 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -83.86 139.01 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -137.33 152.24 49.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.53 114.9 14.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -102.22 160.48 14.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -129.39 109.92 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.637 ' CG2' HD12 ' A' ' 28' ' ' LEU . 5.9 mt -99.0 155.58 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 22' ' ' LEU . 6.6 mt -115.08 141.03 48.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.0 ttt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.8 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.92 68.78 0.43 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.6 HD11 ' CE ' ' A' ' 99' ' ' MET . 15.2 pt -144.29 154.37 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.72 143.76 44.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 48' ' ' ILE . 24.4 pt -111.22 165.02 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.51 113.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.21 -145.67 15.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 171.57 22.11 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -59.19 128.36 36.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.39 -53.69 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.29 155.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.495 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.0 m -66.44 139.95 96.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.94 156.2 43.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -93.2 -30.69 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.43 -138.51 3.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -73.93 70.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.37 109.9 4.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -81.31 54.46 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.28 164.93 12.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.461 1.1 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.413 HG23 ' HB ' ' A' ' 32' ' ' ILE . 11.0 mm -92.8 117.38 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 42.1 m-85 -119.4 152.14 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.609 HG21 HG23 ' A' ' 53' ' ' VAL . 28.7 mm -69.28 129.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -97.74 -29.35 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -157.99 151.13 23.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.609 HG23 HG21 ' A' ' 50' ' ' ILE . 4.1 t -130.9 124.61 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 m -58.66 120.96 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -48.05 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.92 38.73 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.28 -179.35 21.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -34.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.691 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -55.19 -61.66 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.28 -46.0 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -60.48 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.63 -40.62 40.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.62 30.24 2.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.691 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -76.96 155.95 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -142.13 133.91 27.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 56.7 t -56.51 135.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.06 7.55 60.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.11 125.69 28.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.3 tttm -84.58 93.95 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.836 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -54.32 124.89 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 102' ' ' TRP . 19.6 mt -103.97 -44.34 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.4 mt-10 -142.45 159.64 41.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.979 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.5 t -146.02 99.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER 75.84 11.48 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.32 -25.27 11.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.979 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.5 p -68.39 136.42 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.97 122.69 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.7 25.97 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.33 97.71 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.37 36.72 33.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.31 150.1 22.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 18.6 mt-10 -67.83 164.55 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -51.11 -55.34 18.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.6 p80 -50.01 -53.98 23.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.551 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.1 mt-10 -43.75 -47.81 7.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.07 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.5 t -41.37 -54.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -48.38 62.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.563 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.1 mt -67.09 -57.48 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -32.37 72.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.75 91.79 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.799 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -171.29 139.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.78 -165.17 32.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 19.5 p -40.61 -81.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.75 113.74 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.799 HG22 ' HB1' ' A' ' 93' ' ' ALA . 69.7 t -109.06 120.5 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -101.04 131.36 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.631 ' HG2' HG22 ' A' ' 73' ' ' VAL . 3.8 mtm -131.38 117.62 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 7.2 ttt180 -88.23 105.02 17.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.836 HG12 HD22 ' A' ' 70' ' ' LEU . 28.2 m -102.73 162.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.671 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.8 t90 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.755 ' HB3' HD11 ' A' ' 17' ' ' LEU . 5.3 ttm-85 -157.21 157.02 33.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.448 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.546 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 66.9 mt-10 -48.29 164.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.0 pt-20 -123.08 167.91 13.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.526 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mt-10 -86.31 133.41 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -138.25 153.24 49.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -134.91 117.32 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -102.54 158.85 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.9 m -125.12 118.3 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.887 HG21 HD22 ' A' ' 28' ' ' LEU . 6.9 mt -108.35 153.3 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 22' ' ' LEU . 6.7 mt -116.17 140.86 48.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 15.3 ttt180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.887 HD22 HG21 ' A' ' 21' ' ' ILE . 16.6 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -152.59 65.99 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.549 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -146.71 162.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.423 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 12.2 m -120.64 136.33 54.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.825 HD13 HD11 ' A' ' 90' ' ' LEU . 27.7 pt -114.67 154.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.68 153.27 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.21 -149.48 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.91 142.34 10.6 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -48.1 137.47 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.85 -48.74 2.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.7 p -76.89 173.26 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.664 HG23 ' HD2' ' A' ' 40' ' ' PRO . 7.2 m -69.48 145.39 95.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 141.98 27.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -81.61 -26.02 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -119.04 -170.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 99.69 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t0 44.4 42.98 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -113.61 92.54 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -77.24 57.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.12 169.49 14.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -91.18 106.29 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.0 m-85 -112.87 154.69 25.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.528 HG21 HG23 ' A' ' 53' ' ' VAL . 51.2 mm -71.14 126.33 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -24.43 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.423 ' N ' ' HB2' ' A' ' 31' ' ' SER . 5.5 ttm180 -163.85 155.94 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.528 HG23 HG21 ' A' ' 50' ' ' ILE . 3.5 t -133.31 103.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.64 108.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.66 -54.76 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.63 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.65 179.54 16.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.26 6.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.892 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -61.26 -56.04 25.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -69.28 -47.89 63.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.25 -40.87 35.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.48 31.44 1.99 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.892 HG11 ' HB1' ' A' ' 59' ' ' ALA . 10.0 p -82.08 148.57 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.42 141.58 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.404 HG23 ' HB ' ' A' ' 53' ' ' VAL . 49.7 t -62.58 137.88 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.29 7.82 63.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.83 128.11 33.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 22.8 tttm -89.91 101.23 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.999 HD21 HG23 ' A' ' 73' ' ' VAL . 3.9 tt -59.29 147.55 35.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.929 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.4 mt -129.52 -41.57 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.4 mt-10 -136.05 157.47 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.999 HG23 HD21 ' A' ' 70' ' ' LEU . 1.8 t -147.79 98.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.27 10.36 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -25.22 11.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.8 p -67.49 134.82 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.14 122.72 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 86' ' ' ALA . 29.2 mt -116.32 37.73 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.77 105.51 7.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.96 80.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.86 157.66 21.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.3 168.03 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -54.65 -59.91 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 10.9 p80 -46.21 -53.25 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.542 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.2 mt-10 -44.74 -46.45 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -64.48 -61.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' A' ' 90' ' ' LEU . 46.6 t -42.6 -60.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -49.82 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.506 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -64.83 -38.36 90.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.825 HD11 HD13 ' A' ' 32' ' ' ILE . 12.5 mt -64.76 -60.99 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -57.72 -26.5 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.09 93.27 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -176.82 144.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.37 -164.69 39.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 1.4 m -41.96 -71.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.405 ' HA ' HD23 ' A' ' 22' ' ' LEU . . . -74.72 115.06 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 93' ' ' ALA . 75.4 t -112.91 118.59 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.63 139.05 39.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.911 ' HG2' HG22 ' A' ' 73' ' ' VAL . 49.0 mtm -144.25 123.07 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -88.74 103.68 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.67 150.65 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.929 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.0 t90 -106.02 124.14 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.475 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 50.6 ttp85 -156.69 155.72 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 8.2 tp10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.531 ' HB2' ' CE2' ' A' ' 102' ' ' TRP . 5.6 mt-10 -44.89 165.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.6 pt-20 -120.86 163.04 18.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.637 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.1 mt-10 -82.07 139.61 34.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -139.52 161.91 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 m -133.75 122.18 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -117.59 149.26 40.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.1 m -123.91 122.76 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.665 HD13 HD13 ' A' ' 28' ' ' LEU . 8.6 mt -106.59 152.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 22' ' ' LEU . 4.0 mt -104.94 134.73 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 7.9 ttt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.665 HD13 HD13 ' A' ' 21' ' ' ILE . 5.7 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.44 62.66 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.619 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -145.35 154.15 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -112.05 133.74 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 90' ' ' LEU . 18.0 pt -109.81 159.32 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.57 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.3 -125.36 6.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.67 129.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -40.24 149.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.74 -61.22 4.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -69.7 175.47 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 0.717 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 6.2 m -72.21 134.69 82.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.01 136.81 20.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.42 -34.99 67.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -105.42 -171.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.81 -89.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -126.26 55.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.53 101.14 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -77.87 57.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.93 167.5 21.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.0 mm -91.71 108.11 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.5 m-85 -112.61 154.95 25.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.573 HD11 ' OD2' ' A' ' 68' ' ' ASP . 35.5 mm -68.32 137.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t -104.51 -40.28 6.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -153.34 143.54 22.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 30' ' ' ILE . 12.5 t -128.51 99.32 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -63.74 107.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -45.76 -44.85 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.2 59.38 5.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.97 179.38 21.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -33.66 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -64.03 -59.86 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -40.08 -40.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.79 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.74 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.22 27.48 5.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.709 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -68.32 151.78 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mtt85 -140.06 131.06 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -50.95 147.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.87 -18.05 56.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.573 ' OD2' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.28 129.26 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 38.3 tttm -95.16 90.49 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.524 HD21 ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.99 133.2 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' ' 102' ' ' TRP . 28.6 mt -113.87 -36.55 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -155.2 147.51 23.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.986 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.4 t -134.96 114.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.48 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 76.09 3.96 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.69 15.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.82 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 118.74 19.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.457 HD12 HG23 ' A' ' 73' ' ' VAL . 55.8 mt -102.91 35.0 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -91.57 80.58 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.08 -33.01 4.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.686 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -48.28 142.05 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 36.9 mt-10 -70.83 176.39 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -51.63 -62.29 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 9.1 p80 -42.04 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.686 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 6.2 mt-10 -46.51 -45.85 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -61.62 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.1 t -42.13 -55.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -43.95 -51.25 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 76' ' ' VAL . . . -63.91 -38.71 92.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' ' 32' ' ' ILE . 27.2 mt -63.0 -52.56 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -70.06 -26.68 64.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -89.85 67.86 2.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.855 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -156.56 151.3 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -97.27 -161.23 31.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.443 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 p -38.47 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -73.09 116.38 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.855 HG22 ' HB1' ' A' ' 93' ' ' ALA . 76.2 t -112.1 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.6 127.91 35.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.588 ' CE ' ' CD1' ' A' ' 28' ' ' LEU . 2.5 mtt -131.8 118.63 20.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 5.2 ttp180 -88.42 105.18 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.526 HG12 ' OD1' ' A' ' 68' ' ' ASP . 35.2 m -101.75 153.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.815 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.1 t90 -112.02 124.96 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -155.67 157.44 36.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.647 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.26 152.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' CG ' HD21 ' A' ' 17' ' ' LEU . 6.4 pt-20 -118.43 161.9 19.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.64 136.7 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.709 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.5 mt -132.43 163.83 27.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 105.34 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 tp -96.88 159.74 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m -134.76 121.31 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.565 ' CD1' ' HE3' ' A' ' 99' ' ' MET . 9.3 mt -110.84 151.5 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.0 mt -102.53 141.36 35.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.5 ttt-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.92 56.05 0.45 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.609 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -144.04 159.29 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -118.86 151.96 37.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.728 HG21 HD11 ' A' ' 90' ' ' LEU . 34.0 pt -119.53 162.29 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -162.56 133.63 4.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.3 -116.4 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.69 156.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -59.13 148.34 31.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.85 -60.58 4.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.03 170.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.49 HG23 ' HD2' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -70.9 142.0 87.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.49 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.96 122.69 7.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.816 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.18 -32.02 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -105.12 -79.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 178.3 113.24 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 3.0 t70 76.06 -58.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.03 100.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.44 164.18 15.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mm -92.42 109.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 5.6 m-85 -114.48 156.95 23.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.509 HG21 HG23 ' A' ' 53' ' ' VAL . 34.1 mm -69.0 125.41 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -91.48 -36.78 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 153.0 25.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 30' ' ' ILE . 5.0 t -131.13 100.19 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.5 m -49.08 111.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -49.84 -54.63 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.97 53.58 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.35 -177.66 14.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -39.39 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.899 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -58.23 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -47.99 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -50.12 -37.09 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 24.68 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.899 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.0 p -72.39 156.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -139.2 137.4 35.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.457 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 69.6 t -58.44 147.92 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.61 -24.26 28.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.61 131.36 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 45.0 tttm -91.87 98.65 11.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.076 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -58.26 130.54 47.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 102' ' ' TRP . 6.1 mt -112.11 -39.88 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.99 160.42 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.029 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.6 t -150.98 101.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.28 10.71 5.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.41 -21.76 18.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 1.029 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.9 p -69.71 137.77 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.83 122.17 28.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.77 43.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.08 72.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.67 -27.6 4.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.621 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -46.49 142.78 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 38.5 mt-10 -72.29 171.22 12.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -48.51 -56.58 7.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.644 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.518 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.7 p80 -52.48 -53.74 41.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.621 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 3.9 mt-10 -43.78 -50.18 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.76 10.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -41.88 -53.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -49.37 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -67.09 -46.4 74.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.728 HD11 HG21 ' A' ' 32' ' ' ILE . 19.6 mt -53.6 -52.24 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -24.56 63.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.56 92.16 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.729 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -176.02 137.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.04 -163.3 21.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 68.4 p -38.83 -80.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -71.7 116.59 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.729 HG22 ' HB1' ' A' ' 93' ' ' ALA . 87.1 t -108.87 116.76 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -95.15 131.6 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.677 ' HG2' HG22 ' A' ' 73' ' ' VAL . 13.2 mtm -133.54 118.02 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -88.24 105.42 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 1.076 HG12 HD22 ' A' ' 70' ' ' LEU . 33.1 m -101.56 167.16 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.735 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.8 t90 -120.33 126.19 49.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.709 ' HB3' HD11 ' A' ' 17' ' ' LEU . 4.7 ttm-85 -157.04 155.91 31.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 8.5 tt0 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -137.02 162.85 32.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -131.31 164.26 26.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.971 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.62 117.31 11.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.9 -58.33 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.994 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.3 161.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.971 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.44 -94.37 0.1 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 49.33 88.13 0.12 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.527 0.781 . . . . 0.0 110.312 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.34 141.32 28.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -88.03 141.12 28.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.1 mm -111.31 137.33 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.2 pt-20 -176.91 138.52 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.606 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 1.9 mp0 -38.17 147.71 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.526 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.1 pt-20 -116.72 166.89 11.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.563 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mt-10 -84.53 136.25 33.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.606 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.2 mt -137.0 151.62 49.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.8 m -126.84 127.85 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.375 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -121.08 151.94 39.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.3 m -118.25 120.61 38.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.4 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.709 ' CG2' HD22 ' A' ' 28' ' ' LEU . 8.0 mt -106.09 155.21 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 22' ' ' LEU . 5.6 mt -109.91 138.92 45.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.3 ttt180 -121.24 104.37 9.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HG3' HG22 ' A' ' 25' ' ' THR . 14.7 pt20 -109.01 -4.38 16.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.412 HG22 ' HG3' ' A' ' 24' ' ' GLN . 3.5 t -171.47 151.19 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 39.49 -119.64 1.11 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.79 -153.11 8.72 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.709 HD22 ' CG2' ' A' ' 21' ' ' ILE . 19.4 mt -86.62 -166.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 0.737 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.63 63.05 0.63 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.601 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.7 OUTLIER -144.09 170.44 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 m -129.89 140.24 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.006 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.9 pt -115.56 155.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -152.73 148.92 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.49 -122.51 5.61 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.25 137.06 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -53.4 136.54 37.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 106.96 -45.13 1.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.539 1.149 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.06 174.78 6.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 0.77 . . . . 0.0 109.965 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.7 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.8 m -68.36 145.42 97.34 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.386 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.7 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.01 162.07 37.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.481 1.779 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.445 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 80.6 t80 -90.61 -36.7 14.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -125.93 116.76 22.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 41.98 -147.59 0.51 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.488 1.118 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -90.53 68.07 6.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.59 104.07 7.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.75 56.76 0.95 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.46 1.1 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.11 167.65 13.24 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.4 mm -96.11 107.72 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.1 m-85 -113.24 155.08 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.565 HG21 HG23 ' A' ' 53' ' ' VAL . 37.1 mm -68.61 128.87 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.445 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 47.8 t -98.49 -25.22 14.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.974 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -161.42 155.21 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.565 HG23 HG21 ' A' ' 50' ' ' ILE . 3.8 t -135.03 100.37 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 70.4 m -45.91 116.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.74 -52.08 57.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 72.64 1.01 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -141.14 -175.89 15.12 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -34.31 3.93 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 111.031 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.782 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.93 -57.85 8.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.63 -40.2 1.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -64.43 -50.69 66.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.33 -39.99 47.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.12 26.19 3.87 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.512 1.133 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.782 HG11 ' HB1' ' A' ' 59' ' ' ALA . 8.2 p -67.99 147.08 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.12 134.75 45.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 76.8 t -58.03 139.28 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.55 -13.53 62.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.023 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.67 128.68 37.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 0.797 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 37.7 tttm -88.17 100.12 12.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -57.58 134.62 56.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 102' ' ' TRP . 4.4 mt -116.84 -41.94 3.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -141.0 159.08 42.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 110.272 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.001 ' O ' HG12 ' A' ' 76' ' ' VAL . 8.7 t -149.34 105.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.418 HD22 HG13 ' A' ' 97' ' ' VAL . 0.4 OUTLIER 67.84 11.1 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.56 -22.88 14.29 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.568 1.167 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.001 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.0 p -68.64 141.43 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.04 118.46 26.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.421 HD21 ' CB ' ' A' ' 89' ' ' ALA . 28.1 mt -103.57 27.32 7.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.3 113.7 11.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 47.12 46.7 20.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.09 145.32 26.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 46.8 mt-10 -64.07 155.97 29.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.33 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -43.46 -58.18 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.616 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 7.8 p80 -48.53 -55.55 10.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.569 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.4 mt-10 -46.41 -49.86 17.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.33 -59.22 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.4 t -45.38 -57.37 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.78 -53.56 18.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.611 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -46.25 -55.23 7.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.534 HD21 ' HE1' ' A' ' 99' ' ' MET . 28.3 mt -49.92 -52.96 29.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.45 -39.21 56.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.64 88.53 1.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.956 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -174.58 135.77 0.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -89.22 -160.5 36.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.2 p -38.2 -78.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 110.386 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.76 122.6 23.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.956 HG22 ' HB1' ' A' ' 93' ' ' ALA . 75.8 t -120.45 118.89 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -95.76 131.23 42.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.537 ' HE1' HD11 ' A' ' 30' ' ' ILE . 1.2 mtt -130.47 119.96 23.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.96 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 2.6 ttt180 -93.3 105.39 17.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.248 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.005 HG12 HD22 ' A' ' 70' ' ' LEU . 27.8 m -101.66 164.14 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.26 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.767 ' HB2' HD11 ' A' ' 71' ' ' LEU . 7.5 t90 -116.61 125.46 51.84 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.606 ' HB3' HD11 ' A' ' 17' ' ' LEU . 12.8 ttm-85 -156.87 156.24 32.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 1.3 tt0 -87.25 137.03 32.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 88.2 p -49.82 103.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 102.96 175.82 26.69 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.13 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 145.69 31.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.479 1.778 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 110' ' ' GLY . 71.1 m -121.22 116.16 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 110.019 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.2 m 62.82 -79.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.057 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 108' ' ' SER . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -175.22 158.37 2.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.998 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 p -143.53 163.52 32.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.024 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.06 110.82 2.48 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.64 129.46 41.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 0.749 . . . . 0.0 109.993 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.45 151.32 32.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.014 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.03 84.0 0.09 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -130.92 93.41 31.13 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 0.741 . . . . 0.0 110.296 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.54 3.59 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.38 171.12 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -72.53 155.83 39.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mt -102.72 133.65 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -176.62 138.95 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.596 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -38.58 155.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.615 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.5 pt-20 -125.01 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.684 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.8 mt-10 -85.9 138.38 32.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.5 OUTLIER -140.11 151.33 45.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.2 m -129.74 116.61 19.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.348 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.674 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -105.57 159.45 15.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.1 m -135.66 114.69 12.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.422 1.076 . . . . 0.0 110.43 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mt -103.24 156.01 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -105.84 100.17 9.74 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.0 OUTLIER -45.52 111.7 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 25' ' ' THR . 2.1 pt20 -112.2 73.22 0.81 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 24' ' ' GLN . 5.2 t 36.22 46.15 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.92 38.65 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.462 1.101 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.884 ' C ' HD13 ' A' ' 28' ' ' LEU . . . 47.22 -105.62 0.12 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.884 HD13 ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -133.12 -161.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.51 53.53 0.71 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.712 HG22 ' HA ' ' A' ' 53' ' ' VAL . 22.2 pt -137.65 166.27 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 0.779 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.93 143.13 49.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.9 pt -113.44 156.85 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.15 112.28 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 149.54 -151.48 23.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.62 152.22 15.59 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -52.06 135.25 31.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.09 -56.8 4.86 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.464 1.103 . . . . 0.0 111.038 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.8 m -55.42 160.37 2.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.453 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 61.1 m -67.69 140.46 94.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.384 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.02 -174.47 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.44 1.758 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 2.6 t80 -116.22 -32.31 5.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -104.83 -80.53 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.98 -151.23 6.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.08 64.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -125.1 118.59 26.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.84 53.28 2.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.0 164.82 18.41 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.1 mm -94.1 126.82 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 17.3 m-85 -121.32 162.62 19.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.526 HG21 HG23 ' A' ' 53' ' ' VAL . 12.8 mm -81.55 126.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.73 -30.86 16.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.968 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -159.31 159.67 34.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.152 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.712 ' HA ' HG22 ' A' ' 30' ' ' ILE . 3.5 t -137.17 121.18 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.362 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.587 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 5.3 m -57.78 110.13 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.64 -51.89 44.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -107.34 42.14 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -107.08 -175.8 22.79 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.534 1.146 . . . . 0.0 111.043 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -34.46 3.84 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.498 1.788 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.847 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -61.45 -58.33 8.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.587 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.24 -34.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -76.42 -47.26 23.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.674 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.17 -39.85 30.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.61 29.92 2.14 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.507 1.13 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.847 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.2 p -80.63 157.1 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -141.95 136.31 30.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 110.329 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.414 HG23 ' HB ' ' A' ' 53' ' ' VAL . 54.0 t -58.4 140.61 16.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.38 78.81 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.97 131.99 52.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.783 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 20.1 tttm -92.89 97.61 10.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.005 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -55.49 126.45 25.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' ' 102' ' ' TRP . 8.9 mt -106.67 -41.13 5.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.9 mt-10 -145.69 160.7 41.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.277 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.999 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.7 t -147.71 99.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.16 9.99 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.57 -22.91 14.23 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.523 1.139 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.999 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.2 p -71.54 135.48 27.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.8 120.5 25.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 79' ' ' GLN . 18.7 mt -97.18 -11.13 24.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 78' ' ' LEU . 2.6 mt-30 -38.77 -84.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.261 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -90.34 53.13 3.48 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.46 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -121.37 143.66 49.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 40.7 mt-10 -73.09 176.53 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.256 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -57.96 -52.35 65.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.622 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 9.2 p80 -53.31 -47.58 69.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.479 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 6.3 mt-10 -51.63 -40.04 59.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.05 -56.72 6.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.6 t -50.28 -56.27 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.573 1.17 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -52.91 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.549 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -52.28 -59.03 4.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 37.4 mt -48.28 -48.33 35.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.5 mtp180 -55.17 -48.46 73.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 110.287 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -83.49 91.47 1.62 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.137 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.802 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -169.41 131.42 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -73.58 -167.58 14.11 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.449 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 22.7 m -41.19 -78.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 0.769 . . . . 0.0 110.372 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.5 106.57 2.6 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.802 HG22 ' HB1' ' A' ' 93' ' ' ALA . 55.8 t -100.97 108.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -84.3 124.57 31.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.132 . . . . 0.0 110.275 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.44 ' HG2' HG22 ' A' ' 73' ' ' VAL . 6.7 mtm -130.43 115.14 16.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 11.2 ttm180 -89.0 106.65 18.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.005 HG12 HD22 ' A' ' 70' ' ' LEU . 34.3 m -102.0 169.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.742 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.6 t90 -126.75 123.97 38.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 108.03 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.58 ' HB3' HD11 ' A' ' 17' ' ' LEU . 35.4 ttm-85 -156.48 157.71 35.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.463 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -91.32 123.31 34.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.6 m -127.01 141.35 51.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.42 -146.7 5.7 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 73.6 4.25 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.1 m 47.99 91.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.27 157.97 0.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 p -131.89 169.86 15.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 0.77 . . . . 0.0 110.003 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.67 108.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.8 -157.51 8.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.54 158.74 9.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.764 . . . . 0.0 110.056 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -173.57 158.79 3.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.79 147.07 18.87 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -115.13 116.22 42.41 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 146.75 33.0 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.498 1.788 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.78 149.32 51.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 140.37 29.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 HG12 ' HA ' ' A' ' 107' ' ' PRO . 79.0 mt -115.86 148.57 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.7 pt-20 -170.32 130.22 0.91 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.608 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 19.3 mt-10 -38.77 146.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' CG ' HD21 ' A' ' 17' ' ' LEU . 5.4 pt-20 -117.26 166.86 11.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -86.59 135.42 33.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 103' ' ' ARG . 2.7 mt -131.01 155.14 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.7 m -127.86 128.75 45.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.433 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 mt -128.69 150.75 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -124.6 135.0 52.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.5 mt -118.53 152.14 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.123 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.49 113.61 25.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.48 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -80.36 149.16 30.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 171.19 116.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.2 t 38.85 44.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.409 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.09 128.84 1.08 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.64 62.14 4.47 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD12 HD22 ' A' ' 90' ' ' LEU . 30.4 mt 73.49 -179.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.256 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.93 61.52 0.49 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.592 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -141.04 161.86 22.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.767 . . . . 0.0 109.271 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -118.18 134.91 54.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.3 163.72 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.5 165.94 34.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.01 -118.79 5.6 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.74 132.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.0 ttpt -42.06 131.34 3.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 0.761 . . . . 0.0 109.309 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.33 48.66 4.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.01 165.62 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 110.059 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.62 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.0 m -67.15 143.75 97.88 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.97 165.83 30.51 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.458 1.767 . . . . 0.0 111.033 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -96.23 -35.36 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.5 -84.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.19 -138.89 4.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.59 67.33 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 0.75 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -142.25 118.4 10.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -91.05 46.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.65 169.07 16.67 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 27.5 mm -94.31 116.13 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 0.749 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.513 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 11.9 m-85 -122.15 152.1 40.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.543 HG21 HG23 ' A' ' 53' ' ' VAL . 28.1 mm -68.84 132.92 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 t -103.89 -33.55 8.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.61 145.2 19.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.543 HG23 HG21 ' A' ' 50' ' ' ILE . 6.1 t -127.37 108.5 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.415 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 67.8 m -53.4 109.57 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.006 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.02 -48.87 64.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -98.32 42.29 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -114.81 -178.47 18.84 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.471 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -75.01 -40.22 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -55.42 -57.35 12.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -39.96 -49.69 2.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.4 -50.99 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.24 -36.28 19.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.14 28.39 4.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.5 p -71.77 152.74 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.401 ' NH1' ' NH1' ' A' ' 103' ' ' ARG . 73.7 mtt180 -133.73 144.15 48.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.445 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 48.1 t -67.96 138.61 22.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.5 1.25 64.26 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.46 124.12 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.513 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 16.4 tttm -85.16 95.63 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.599 HD11 HG21 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -54.57 140.97 33.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.795 HD21 ' HB2' ' A' ' 102' ' ' TRP . 6.6 mt -120.95 -42.01 2.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.5 tm-20 -149.43 145.91 27.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.944 ' O ' HG12 ' A' ' 76' ' ' VAL . 20.9 t -137.56 112.43 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.483 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 78.19 3.61 2.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.7 -22.5 14.7 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.503 1.127 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.944 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.2 p -73.18 132.41 33.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -78.43 117.46 19.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.8 mt -105.48 36.96 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.81 108.43 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.276 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.81 29.72 70.86 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -94.29 151.67 19.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 0.765 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -67.42 168.48 10.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -54.74 -60.59 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.651 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.617 ' CD2' ' N ' ' A' ' 85' ' ' GLU . 6.6 p-80 -47.51 -49.36 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 1.124 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.617 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 3.1 mt-10 -49.16 -44.56 42.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.08 -59.89 3.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.8 t -47.6 -57.97 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -55.56 2.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.627 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -53.28 -63.22 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 HD12 ' A' ' 28' ' ' LEU . 15.2 mt -41.42 -51.29 3.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -53.98 -51.1 64.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.96 83.01 0.84 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.91 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -168.91 135.89 1.85 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.585 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -85.19 -161.49 34.34 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.48 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.9 m -39.91 -81.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.421 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -67.29 107.69 2.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.91 HG22 ' HB1' ' A' ' 93' ' ' ALA . 56.1 t -107.19 107.63 23.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -77.15 126.04 30.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.2 mtm -127.1 115.4 19.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.463 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.9 ttt180 -94.73 104.89 16.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.63 164.92 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.795 ' HB2' HD21 ' A' ' 71' ' ' LEU . 4.6 t90 -115.91 129.17 56.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 108.006 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.796 ' HB3' HD11 ' A' ' 17' ' ' LEU . 18.0 ttp85 -157.28 152.84 26.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -96.61 141.04 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 110.311 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.97 110.33 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 53.54 -176.75 0.23 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.459 1.1 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HA ' HG12 ' A' ' 12' ' ' ILE . 18.2 Cg_endo -75.0 91.97 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.8 m -65.97 136.21 55.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 11.8 m -93.28 -58.38 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.998 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -168.38 170.46 9.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 0.779 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -110.78 147.45 34.44 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.053 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.87 -170.18 11.89 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.532 1.145 . . . . 0.0 110.982 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.2 t -126.61 128.03 46.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.46 170.62 7.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.1 169.11 17.35 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -145.8 95.25 4.91 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.758 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.7 39.86 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.489 1.783 . . . . 0.0 111.018 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.55 178.69 9.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mtm180 -68.97 148.24 50.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 91.4 mt -117.65 130.26 72.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.5 pt-20 -149.92 124.37 9.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.619 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 17.7 mt-10 -37.17 145.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.519 ' HG3' HD21 ' A' ' 17' ' ' LEU . 7.5 pt-20 -114.31 166.98 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.336 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.8 OUTLIER -84.2 140.6 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.861 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -136.04 163.19 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -134.55 111.73 10.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 4.8 tp -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.4 m -134.88 133.74 39.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.356 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 11.2 mt -125.77 152.12 32.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.153 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 21' ' ' ILE . 2.3 mt -106.22 133.1 51.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.1 OUTLIER -92.53 139.1 30.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.342 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -134.09 -55.13 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.1 146.37 23.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.419 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.29 -99.11 2.22 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.565 1.166 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.89 89.85 0.08 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.793 HD12 HD22 ' A' ' 90' ' ' LEU . 21.4 mt 53.0 174.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 0.745 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.71 68.24 0.4 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.612 HD11 ' CE ' ' A' ' 99' ' ' MET . 1.6 pt -146.33 166.77 7.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.4 m -121.47 136.38 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 pt -114.09 163.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.14 130.1 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.05 -150.75 18.5 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.35 -160.78 22.12 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 37' ' ' GLY . 16.0 ttmm -73.31 -107.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 0.74 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.443 ' N ' ' HG2' ' A' ' 36' ' ' LYS . . . -71.92 57.75 1.39 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.524 1.14 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 t -138.84 170.96 15.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 0.795 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 7.8 m -70.72 135.23 85.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.3 Cg_endo -75.0 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.475 1.776 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.414 ' CE2' ' HA ' ' A' ' 51' ' ' SER . 50.3 t80 -110.6 -27.75 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -108.03 -71.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -147.43 -146.61 4.38 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 111.042 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -71.66 74.56 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.338 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -146.24 112.21 5.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.81 55.2 2.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.05 -177.51 17.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 9.2 mm -114.47 119.83 62.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.8 m-85 -122.05 157.35 31.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.407 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 24.2 mm -70.72 135.68 27.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.414 ' HA ' ' CE2' ' A' ' 41' ' ' TYR . 0.1 OUTLIER -101.34 -40.08 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.02 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -151.84 154.44 36.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.323 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.535 ' HA ' HG22 ' A' ' 30' ' ' ILE . 5.1 t -131.28 97.28 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.255 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 69.1 m -49.65 107.36 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.91 -37.68 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.27 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.62 37.79 1.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -120.81 179.98 16.28 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.3 Cg_endo -74.96 -33.44 4.64 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.486 1.782 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.799 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -60.63 -54.1 49.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.98 -47.83 11.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -50.8 70.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.95 -41.48 46.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 113.45 26.21 4.05 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.799 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.4 p -69.15 147.74 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 mmt180 -123.28 145.57 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 49.0 t -70.17 141.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.38 7.22 65.5 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.44 1.087 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.25 124.9 28.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.549 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.1 tttm -83.37 106.53 15.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.883 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -64.14 134.71 55.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.272 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 102' ' ' TRP . 7.9 mt -115.61 -41.91 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.463 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.54 158.81 43.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.002 ' O ' HG12 ' A' ' 76' ' ' VAL . 10.9 t -148.16 103.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 69.31 10.79 7.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.74 -22.12 15.24 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.501 1.126 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.002 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.2 p -69.54 136.79 25.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.475 0.75 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.48 117.48 23.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 mt -102.87 34.69 2.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -90.51 103.55 16.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 69.23 46.61 56.82 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -107.07 141.98 37.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 43.0 mt-10 -65.89 155.14 37.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -40.0 -56.02 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.626 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.3 p80 -52.05 -54.61 28.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.618 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 4.2 mt-10 -47.25 -48.33 24.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.47 -57.37 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.278 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.4 t -47.41 -54.32 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.16 -51.81 23.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.137 . . . . 0.0 110.328 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -46.67 -55.9 6.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.793 HD22 HD12 ' A' ' 28' ' ' LEU . 21.7 mt -49.28 -51.78 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -52.74 -35.43 56.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.267 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.56 82.33 1.59 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.883 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -170.95 161.29 6.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 0.747 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.691 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -120.0 -157.91 10.4 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.622 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -38.35 -81.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 110.416 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.622 ' H ' HG23 ' A' ' 95' ' ' THR . . . -72.75 109.51 6.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.883 HG22 ' HB1' ' A' ' 93' ' ' ALA . 53.7 t -110.04 111.82 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -86.54 128.7 35.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.612 ' CE ' HD11 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -129.46 115.18 17.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 17' ' ' LEU . 1.0 OUTLIER -89.29 105.19 17.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.333 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.883 HG12 HD22 ' A' ' 70' ' ' LEU . 27.7 m -102.03 162.14 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.769 ' HB2' HD11 ' A' ' 71' ' ' LEU . 10.2 t90 -114.86 125.67 53.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.142 . . . . 0.0 108.039 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.861 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.3 ttm-85 -157.11 154.75 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.42 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -89.65 146.98 24.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.2 t -137.84 106.8 5.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -143.47 -153.41 5.87 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 106.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.8 t -158.58 93.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.935 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.12 -61.42 2.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 109.954 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.496 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 p -62.32 144.25 55.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 0.758 . . . . 0.0 109.939 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.65 145.86 6.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.54 112.13 3.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.1 p -139.02 167.09 22.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.1 m -41.63 159.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.988 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.51 -129.75 6.77 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.452 1.095 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -163.8 108.09 0.94 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.527 0.78 . . . . 0.0 110.352 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 119.78 5.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.78 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.98 133.04 6.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -122.29 137.89 54.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.2 mt -100.75 130.35 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -176.98 134.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.556 ' HB2' ' CZ2' ' A' ' 102' ' ' TRP . 5.7 mt-10 -51.02 159.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' HG3' HD21 ' A' ' 17' ' ' LEU . 7.6 pt-20 -114.81 164.72 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.472 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -83.59 139.76 32.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.751 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -136.33 156.01 49.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.1 m -134.8 117.65 16.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.072 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -103.26 158.12 16.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 8.7 m -133.4 104.74 6.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.377 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.549 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 5.5 mt -93.96 155.74 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 22' ' ' LEU . 5.8 mt -111.76 138.42 48.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 95' ' ' THR . 1.3 ttt-85 -97.15 153.19 18.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -171.04 -59.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.133 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.9 t -137.33 138.61 40.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.31 -99.75 1.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 159.05 81.46 0.04 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 mt 59.83 177.89 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -143.82 64.78 0.47 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.1 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.606 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.2 pp -143.76 176.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.239 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.414 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 17.7 m -140.46 155.08 46.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.8 pt -119.6 164.55 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.65 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -166.35 118.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.87 -153.54 20.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' CA ' HD11 ' A' ' 48' ' ' ILE . . . 109.73 147.62 11.88 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -40.33 130.66 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.04 -55.28 3.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -65.03 158.47 25.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.713 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.7 m -66.6 146.32 99.05 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 110.355 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.713 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 134.67 18.11 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.024 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -60.3 -35.68 76.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 111.021 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.12 141.74 14.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 57.87 164.08 0.07 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.52 73.65 3.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -144.49 115.2 7.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -78.82 54.81 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.38 165.3 12.43 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 48' ' ' ILE . 21.9 mm -90.59 109.67 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 69' ' ' LYS . 6.0 m-85 -113.2 156.19 23.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.627 HG21 HG23 ' A' ' 53' ' ' VAL . 12.3 mm -69.26 139.68 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.65 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 23.8 t -107.03 -22.19 12.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' N ' ' HB2' ' A' ' 31' ' ' SER . 3.5 ttt85 -163.55 150.03 11.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.627 HG23 HG21 ' A' ' 50' ' ' ILE . 3.0 t -132.72 103.03 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 m -49.82 107.41 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.963 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -52.95 -54.41 35.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -94.17 50.25 1.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -125.64 179.43 16.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.539 1.149 . . . . 0.0 110.951 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -26.44 10.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.86 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.79 -60.04 3.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -34.08 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 -74.73 -48.41 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.15 -40.47 32.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.71 30.76 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.86 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.8 p -81.98 150.4 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -140.63 137.62 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.369 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 67.2 t -58.88 137.57 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.65 -5.6 76.96 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.9 123.17 17.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 49' ' ' PHE . 31.0 tttm -81.25 95.52 6.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -57.13 146.13 28.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.801 HD11 ' HB2' ' A' ' 102' ' ' TRP . 7.5 mt -123.85 -40.81 2.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.1 tm-20 -151.03 148.96 28.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.258 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.926 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.8 t -138.83 114.06 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 76.2 3.8 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.41 16.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.138 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.926 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.8 p -73.88 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.79 110.62 10.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 78' ' ' LEU . 16.8 mt -92.5 35.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -85.46 115.33 23.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.97 44.23 92.82 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.546 1.154 . . . . 0.0 111.024 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -104.1 145.96 29.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -65.68 158.59 26.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.4 t60 -45.87 -55.83 6.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 109.632 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.5 p80 -51.74 -52.92 44.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.658 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.564 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 5.2 mt-10 -47.61 -42.97 25.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.52 -61.74 2.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.4 t -45.05 -59.22 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.17 -57.97 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -47.75 -57.69 5.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.5 mt -45.1 -54.99 6.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.4 mtp180 -51.51 -38.58 54.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.27 81.01 1.73 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 1.101 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -161.66 134.6 6.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -86.32 -162.81 37.39 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 23' ' ' ARG . 3.3 p -43.36 -50.37 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 0.787 . . . . 0.0 110.394 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -93.45 116.83 29.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 1.101 HG22 ' HB1' ' A' ' 93' ' ' ALA . 53.6 t -111.35 113.4 44.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -95.87 127.35 41.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.549 ' HE2' ' CD1' ' A' ' 21' ' ' ILE . 1.3 mtm -125.99 114.48 18.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.5 ttt180 -93.11 104.43 16.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.2 m -107.03 159.37 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.801 ' HB2' HD11 ' A' ' 71' ' ' LEU . 13.6 t90 -110.55 125.88 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 107.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.751 ' HB3' HD11 ' A' ' 17' ' ' LEU . 1.7 ttm-85 -155.97 156.54 34.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -87.89 152.46 22.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 20.0 p -72.31 109.51 6.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.989 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -125.94 154.76 18.9 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -59.84 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.21 156.62 14.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.96 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.22 89.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.041 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -118.84 156.4 29.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.9 p -104.47 160.26 15.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.09 -92.57 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.142 . . . . 0.0 111.036 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 m 58.09 106.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.009 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 t -164.82 137.08 4.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.82 130.02 5.82 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.93 151.63 42.54 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.29 22.96 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.478 1.778 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.02 177.26 4.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.9 mtt180 -104.72 158.52 16.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.331 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.9 mm -111.87 137.33 44.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -177.13 137.76 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.592 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 4.4 mt-10 -39.16 156.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 6.5 pt-20 -122.06 168.75 11.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HG2' HD13 ' A' ' 71' ' ' LEU . 1.9 mt-10 -88.94 134.23 34.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 100' ' ' ARG . 1.7 mt -133.67 153.0 52.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 m -124.18 135.84 53.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.3 mt -132.31 153.32 50.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.4 m -126.55 121.05 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.506 HG21 HD22 ' A' ' 28' ' ' LEU . 6.2 mt -105.32 153.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -102.84 114.28 28.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.47 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 4.5 ttt-85 -72.62 123.07 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -153.69 -45.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.8 p -110.9 120.01 40.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.413 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 45.44 -110.04 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.73 77.27 0.26 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.506 HD22 HG21 ' A' ' 21' ' ' ILE . 13.7 mt 71.91 -169.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.24 50.38 0.59 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.549 1.156 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pt -136.45 149.5 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.564 0.802 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.12 137.17 46.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.979 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.6 pt -106.78 161.12 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -156.0 150.42 25.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 114.28 -113.87 3.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.548 1.155 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.81 140.01 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -50.66 134.48 24.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 104.68 -57.18 0.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.969 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.95 168.52 19.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.756 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.8 146.42 99.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.402 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 158.85 41.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -91.87 -29.35 16.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.84 132.31 28.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.42 -150.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -96.72 62.28 1.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.77 115.61 20.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -84.61 49.35 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.43 165.75 16.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.472 1.108 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.9 mm -94.48 107.96 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 7.0 m-85 -109.65 164.11 12.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.434 HG21 ' CG2' ' A' ' 53' ' ' VAL . 14.6 mm -83.31 121.3 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.44 -48.22 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.967 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.51 155.45 46.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.346 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.575 HG22 HG22 ' A' ' 30' ' ' ILE . 15.4 t -133.26 106.79 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.9 m -52.15 110.77 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.69 -53.84 17.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.41 83.62 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -158.02 -174.77 28.14 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.5 Cg_endo -74.93 -38.46 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.777 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.561 ' CB ' HG23 ' A' ' 30' ' ' ILE . . . -58.79 -67.25 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.501 ' HA ' HG12 ' A' ' 64' ' ' VAL . . . -55.03 -20.88 10.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 10.2 ttt85 -83.34 -10.01 58.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -96.3 -29.69 13.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 117.55 31.71 1.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' A' ' 60' ' ' ALA . 6.0 p -76.83 157.58 5.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 0.779 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -141.83 135.39 29.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.2 t -59.74 137.73 21.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.21 -11.77 65.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.569 1.168 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -53.6 128.06 27.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 33.5 tttm -94.0 94.85 8.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.572 HD21 ' CG2' ' A' ' 73' ' ' VAL . 5.6 tp -50.15 147.12 4.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.257 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.75 HD21 ' HB2' ' A' ' 102' ' ' TRP . 17.2 mt -127.18 -41.69 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -142.18 166.35 24.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.019 ' O ' HG12 ' A' ' 76' ' ' VAL . 3.1 t -152.69 98.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 70.34 10.46 7.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.18 -13.59 21.46 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.461 1.1 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.9 p -79.29 128.5 38.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 0.778 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.71 115.14 15.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.534 HD12 ' CG2' ' A' ' 73' ' ' VAL . 38.2 mt -105.66 41.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.91 100.52 10.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 79.17 28.28 53.88 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.47 1.107 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.88 146.58 24.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.484 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 3.6 mt-10 -64.64 158.79 23.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -47.38 -58.52 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.58 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 14.9 p80 -44.26 -54.92 5.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.585 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.563 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.2 mt-10 -48.46 -49.66 34.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.17 -58.47 8.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.419 HG12 ' CD ' ' A' ' 91' ' ' ARG . 39.1 t -45.46 -58.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -50.48 57.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -48.05 -43.76 30.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 28' ' ' LEU . 50.1 mt -68.32 -48.76 64.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.419 ' CD ' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -52.22 -42.12 63.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 110.33 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -86.22 85.14 1.56 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.052 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.892 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -173.05 133.07 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 0.801 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -80.41 -163.73 29.31 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 3.5 m -38.86 -82.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 0.761 . . . . 0.0 110.424 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.69 110.35 2.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.892 HG22 ' HB1' ' A' ' 93' ' ' ALA . 43.3 t -109.08 105.55 19.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -79.51 128.06 32.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 73' ' ' VAL . 7.1 mtm -133.64 120.74 21.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LEU . 1.4 ttt85 -92.84 105.72 17.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.331 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.0 m -102.16 152.66 5.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.75 ' HB2' HD21 ' A' ' 71' ' ' LEU . 4.2 t90 -104.4 127.76 52.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 108.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.43 ' HB3' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.36 157.64 35.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.308 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 2.1 tt0 -89.33 137.11 32.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -149.19 110.71 4.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 54.26 168.03 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 82.42 2.01 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.52 135.1 38.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.018 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 92.3 p -83.49 160.16 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.007 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 p -85.59 156.17 20.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.85 121.69 13.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.987 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.63 -74.03 0.73 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.87 156.31 19.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 0.752 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -103.47 170.83 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.96 -62.76 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 2.7 mt-10 64.26 136.77 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 110.323 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 8' ' ' GLU . 18.1 Cg_endo -75.03 122.62 7.31 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.512 1.796 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -124.89 129.45 50.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.84 163.2 19.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 110.263 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.9 mt -119.08 137.95 51.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' GLU . 12.1 pt-20 -177.95 139.88 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 9.0 mp0 -38.19 149.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.7 pt-20 -120.5 167.44 12.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.561 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -85.04 139.34 31.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.581 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -137.94 154.49 49.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.437 HG22 ' HG2' ' A' ' 98' ' ' GLN . 1.4 m -127.12 105.63 8.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.39 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.7 tp -93.51 163.05 13.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.7 m -135.51 123.9 23.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 1.179 . . . . 0.0 110.361 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.602 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 8.9 mt -115.82 151.65 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 22' ' ' LEU . 3.4 mt -103.65 138.33 40.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HE ' HG21 ' A' ' 97' ' ' VAL . 5.6 mtt180 -87.89 122.44 31.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.31 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -115.36 -94.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.424 1.077 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.1 p -93.99 -75.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.395 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.0 -39.34 20.34 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 28' ' ' LEU . . . 92.75 111.52 1.99 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.868 HD21 HG11 ' A' ' 97' ' ' VAL . 1.2 mp 62.16 127.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.27 57.67 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.923 HG22 HG22 ' A' ' 53' ' ' VAL . 1.3 pp -134.09 161.64 40.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.75 152.31 38.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.971 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 14.5 pt -114.82 156.26 15.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -155.9 121.15 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.71 -131.47 5.77 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.11 138.9 5.68 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -45.06 136.27 4.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 0.776 . . . . 0.0 109.315 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 96.74 -58.7 1.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -70.11 168.26 15.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.654 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.3 m -66.79 144.87 98.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.95 146.31 32.69 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.784 . . . . 0.0 111.033 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.413 ' CD2' ' HG3' ' A' ' 42' ' ' LYS . 88.4 t80 -77.71 -38.11 47.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' HG3' ' CD2' ' A' ' 41' ' ' TYR . 4.3 mtpt -127.0 120.76 29.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 39.1 -153.64 0.03 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.45 1.093 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -85.64 69.25 10.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.11 108.72 10.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.3 54.19 2.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.443 1.089 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.18 162.72 14.82 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.7 mm -90.07 112.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.5 m-85 -115.8 155.04 28.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.459 HG21 HG23 ' A' ' 53' ' ' VAL . 30.7 mm -68.54 130.12 33.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.447 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -92.82 -43.15 9.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.38 158.39 43.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.923 HG22 HG22 ' A' ' 30' ' ' ILE . 2.3 t -135.73 100.64 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -46.09 139.56 4.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -73.01 -48.68 34.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' A' ' 56' ' ' GLU . 4.9 pt-20 -101.06 51.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -116.55 175.92 16.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -31.17 6.44 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.459 1.768 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.85 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -64.54 -56.36 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.99 -42.96 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -65.38 -46.79 78.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -52.05 -42.24 62.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.47 29.86 2.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.85 HG11 ' HB1' ' A' ' 59' ' ' ALA . 7.1 p -75.79 158.46 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.402 ' O ' ' OD1' ' A' ' 68' ' ' ASP . 1.2 mpt_? -141.52 141.16 33.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.15 142.37 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 96.44 -19.04 56.3 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.446 1.091 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' OD1' ' NE ' ' A' ' 103' ' ' ARG . 8.7 m-20 -48.45 119.03 2.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 0.755 . . . . 0.0 109.354 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 26.1 tttm -79.22 96.26 5.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.722 HD21 ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -58.58 136.66 57.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.753 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.1 mt -116.5 -40.49 3.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -151.36 146.57 26.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.313 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.934 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.5 t -134.59 114.35 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.095 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.513 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.6 OUTLIER 77.54 3.51 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.85 -21.97 15.26 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.124 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.934 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.9 p -73.74 131.26 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.97 117.06 18.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.77 30.84 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -72.34 106.18 4.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.24 43.34 99.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.26 150.45 22.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -67.45 163.12 21.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -50.28 -60.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.589 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.545 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 9.7 p80 -46.38 -53.93 10.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.613 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.545 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.6 mt-10 -45.77 -47.12 15.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.68 -61.67 2.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.3 t -43.5 -60.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.3 -57.45 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.438 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -48.57 -61.81 1.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.7 mt -41.27 -54.75 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -50.6 -44.54 57.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.96 91.05 1.57 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.642 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -166.11 132.03 2.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -76.2 -164.8 18.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 p -39.2 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.787 . . . . 0.0 110.451 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -72.47 109.88 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.868 HG11 HD21 ' A' ' 28' ' ' LEU . 96.7 t -94.0 114.63 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' HG22 ' A' ' 18' ' ' THR . 10.0 tt0 -89.11 130.68 35.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 110.266 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.722 ' SD ' HD21 ' A' ' 70' ' ' LEU . 2.9 mtm -131.39 116.15 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.435 ' O ' HD13 ' A' ' 70' ' ' LEU . 2.4 ttp180 -88.4 104.64 16.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.522 HG12 HD22 ' A' ' 70' ' ' LEU . 31.5 m -102.61 162.25 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.753 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.0 t90 -116.62 125.11 51.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 107.964 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.467 ' HB2' ' CD1' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -157.18 158.51 36.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 10.5 tt0 -91.1 133.41 35.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.2 t -92.75 139.38 30.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -92.74 136.01 12.96 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.441 1.088 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 70.45 5.35 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.62 130.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.31 -61.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.469 1.105 . . . . 0.0 111.032 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m 54.01 99.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.27 115.17 5.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.122 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.92 -70.08 1.02 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.8 153.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 0.761 . . . . 0.0 110.012 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.21 126.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.63 167.9 32.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -51.26 151.05 5.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 124.19 8.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.435 1.755 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 53.27 175.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.9 147.27 43.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 110.311 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -117.35 133.81 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' GLU . 9.2 pt-20 -178.06 138.68 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.61 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 7.6 mp0 -38.18 150.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.57 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.8 pt-20 -121.72 165.33 15.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.309 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.547 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.1 mt-10 -84.87 137.74 32.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.9 OUTLIER -136.19 155.99 49.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 m -134.38 116.05 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -104.29 161.12 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.8 m -135.53 105.9 6.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.379 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' CG1' ' CB ' ' A' ' 62' ' ' ALA . 3.7 mt -98.61 155.14 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.39 118.69 37.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.579 1.174 . . . . 0.0 109.308 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.18 82.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' LEU . 23.7 pt20 -164.12 -175.26 3.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 110.246 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.59 ' O ' HG23 ' A' ' 25' ' ' THR . 11.6 t 34.37 44.91 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 110.427 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 28' ' ' LEU . . . 92.33 42.3 4.62 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.819 ' C ' HD12 ' A' ' 28' ' ' LEU . . . 40.74 -96.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.819 HD12 ' C ' ' A' ' 27' ' ' GLY . 5.8 mp -123.45 134.74 53.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 0.8 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.31 58.56 0.39 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.737 HG22 HG22 ' A' ' 53' ' ' VAL . 1.0 OUTLIER -135.46 160.56 39.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.29 135.59 53.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.0 pt -105.34 152.57 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -152.29 113.54 4.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 140.7 -134.16 6.28 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.493 1.121 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.48 146.36 13.92 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' HE3' ' CG ' ' A' ' 82' ' ' GLU . 6.9 ttpt -49.77 161.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 0.725 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . 48.15 51.36 20.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 111.046 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.68 173.59 3.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 110.04 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.724 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.4 m -73.71 145.69 84.75 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.97 179.35 6.17 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 30.7 t80 -117.61 -33.92 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.06 -69.5 0.85 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.8 -176.76 14.55 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.98 78.04 0.22 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.785 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -146.47 132.3 19.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -83.4 49.63 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -110.64 162.69 12.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.5 mm -98.87 114.55 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -111.51 151.87 28.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.566 HG21 ' CG2' ' A' ' 53' ' ' VAL . 10.2 mm -73.7 129.46 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.61 -44.1 8.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 110.016 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -145.94 150.97 37.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.737 HG22 HG22 ' A' ' 30' ' ' ILE . 14.4 t -136.83 109.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.7 m -63.93 108.83 1.59 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -57.32 -27.98 62.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -103.47 27.92 6.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.82 179.46 19.64 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.2 Cg_endo -75.04 -28.12 9.37 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.502 1.79 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -65.06 -57.1 9.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.83 -38.46 7.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -67.68 -50.58 57.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.26 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.6 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -47.86 -36.39 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.245 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.67 29.71 2.38 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.674 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.1 p -78.1 157.9 5.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.474 0.749 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.1 140.12 32.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.453 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 52.9 t -63.8 136.12 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.68 -12.19 67.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.29 132.82 44.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 29.7 tttm -93.28 100.07 12.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.59 HD21 ' CG2' ' A' ' 73' ' ' VAL . 5.3 tp -55.44 143.16 29.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.774 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.0 mt -123.87 -40.68 2.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -146.43 166.27 26.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.025 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 t -150.98 99.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.575 ' ND2' ' HB1' ' A' ' 93' ' ' ALA . 0.3 OUTLIER 73.32 6.65 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.15 -10.24 22.59 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.025 HG12 ' O ' ' A' ' 73' ' ' VAL . 8.7 p -83.71 127.9 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.1 115.55 12.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' HA ' ' HB3' ' A' ' 81' ' ' ALA . 21.7 mt -99.63 -16.95 18.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 78' ' ' LEU . 0.5 OUTLIER -36.18 -76.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.271 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -95.14 43.38 2.25 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB3' ' HA ' ' A' ' 78' ' ' LEU . . . -107.82 155.17 20.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 0.745 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.471 ' CG ' ' HE3' ' A' ' 36' ' ' LYS . 22.9 mt-10 -81.18 166.12 20.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -52.13 -52.21 53.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 13.4 p80 -53.71 -50.35 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.535 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 7.0 mt-10 -50.18 -47.75 54.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.79 29.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.16 -56.79 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.27 -54.76 27.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.758 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -44.87 -51.48 9.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 27.0 mt -52.32 -51.96 55.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -54.41 -52.0 63.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -76.32 85.31 0.93 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.575 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -165.68 131.2 2.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.3 -170.31 0.74 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.444 1.09 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 67.2 m -43.12 -68.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 0.747 . . . . 0.0 110.427 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -75.61 113.23 12.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.541 HG11 HD21 ' A' ' 28' ' ' LEU . 48.3 t -95.17 106.58 18.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -84.46 125.79 32.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.6 mtm -129.58 121.18 26.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.441 ' O ' HD12 ' A' ' 70' ' ' LEU . 4.3 ttp180 -95.11 104.56 16.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.272 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.4 m -104.46 157.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.774 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.4 t90 -111.87 126.36 55.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 108.028 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.708 ' HB3' HD11 ' A' ' 17' ' ' LEU . 17.4 ttm-85 -157.2 155.21 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -92.61 132.94 36.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -99.22 90.25 4.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -115.48 -144.78 8.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 155.6 42.99 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.454 1.765 . . . . 0.0 111.046 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.8 m -140.59 -55.37 0.51 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.1 t -62.18 -75.06 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.999 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.04 138.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.003 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -131.44 171.61 13.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.019 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.29 166.55 31.66 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -135.69 161.12 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.4 124.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.972 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.07 142.39 15.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.16 155.7 79.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 110.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 86.28 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.96 165.49 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.12 146.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -105.73 136.89 38.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -172.43 137.22 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.611 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.91 157.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.578 ' HG3' HD21 ' A' ' 17' ' ' LEU . 8.2 pt-20 -122.83 165.61 16.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.506 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.2 mt-10 -84.46 139.13 32.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.272 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.578 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -136.8 163.18 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 98' ' ' GLN . 3.7 m -134.96 112.03 10.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.426 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 9.3 tp -100.15 160.63 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.0 m -134.87 121.34 20.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.421 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 7.6 mt -112.87 152.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.232 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD22 HG22 ' A' ' 95' ' ' THR . 5.8 mt -111.66 139.87 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -79.16 149.09 32.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.24 -40.26 2.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.608 HG22 ' N ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -176.93 -70.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.608 ' N ' HG22 ' A' ' 25' ' ' THR . . . -57.18 -62.71 6.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.896 ' C ' HD22 ' A' ' 28' ' ' LEU . . . 133.44 99.26 0.68 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.896 HD22 ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER 55.94 174.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.288 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.09 68.82 0.31 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.692 HG22 HG22 ' A' ' 53' ' ' VAL . 8.9 pt -146.0 169.07 6.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.2 m -124.11 149.46 46.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.6 pt -122.17 166.68 16.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -165.69 127.32 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.59 -132.49 7.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.98 150.95 25.8 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -44.38 148.49 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.98 55.79 16.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.13 168.73 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 109.933 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.606 HG23 ' HD2' ' A' ' 40' ' ' PRO . 8.7 m -73.8 143.76 81.92 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.06 153.85 41.78 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.474 1.776 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.58 ' CE1' ' HA ' ' A' ' 51' ' ' SER . 89.2 t80 -88.7 -32.13 18.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.147 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -123.89 -78.74 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 45' ' ' ASP . . . -118.53 -178.82 17.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -64.62 78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.237 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' GLY . 29.2 m-20 -137.22 116.48 12.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.48 54.53 1.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.51 175.89 18.09 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.6 mm -99.88 125.06 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.467 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -120.54 151.78 38.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.568 ' CG2' HG23 ' A' ' 53' ' ' VAL . 30.3 mm -68.53 124.63 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.58 ' HA ' ' CE1' ' A' ' 41' ' ' TYR . 30.6 t -92.43 -37.0 12.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -154.43 152.7 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.692 HG22 HG22 ' A' ' 30' ' ' ILE . 3.3 t -137.47 95.31 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -51.0 108.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.01 -21.51 31.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.39 28.65 7.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -113.62 -178.29 19.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.06 2.21 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.521 1.801 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.767 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -57.89 -53.65 55.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.44 2.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.306 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.31 -48.34 35.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 110.296 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.75 -33.51 10.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.55 32.93 3.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.767 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.6 p -82.42 154.6 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -135.68 139.5 43.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -62.31 144.84 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.33 -22.83 38.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 111.025 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.63 134.63 24.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 46.4 tttm -95.89 101.76 13.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.53 HD21 ' CG2' ' A' ' 73' ' ' VAL . 7.0 tp -56.59 147.15 23.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.76 HD11 ' HB2' ' A' ' 102' ' ' TRP . 11.8 mt -127.45 -42.93 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.457 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.6 mt-10 -139.89 170.49 15.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.013 ' O ' HG12 ' A' ' 76' ' ' VAL . 6.6 t -152.82 100.28 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.423 ' ND2' ' HB1' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 68.51 10.92 8.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.66 -16.84 21.15 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.013 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.4 p -74.86 132.99 32.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.76 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.17 116.41 21.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 73' ' ' VAL . 23.5 mt -99.14 -4.21 32.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -76.26 91.9 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 129.31 -32.08 3.31 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -68.02 160.75 28.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 0.754 . . . . 0.0 109.275 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 37.6 mt-10 -80.69 -177.1 6.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -61.53 -55.44 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.623 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 6.6 p80 -50.93 -49.52 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.619 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 3.1 mt-10 -49.35 -42.75 42.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.05 -60.43 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.7 t -40.35 -59.11 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.94 -60.88 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.552 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -43.05 -58.67 2.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 12.1 mt -44.6 -55.92 4.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -50.45 -51.87 43.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.227 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -74.73 87.75 0.74 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.78 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -174.69 128.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -67.16 -166.78 2.9 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.473 HG22 HD22 ' A' ' 22' ' ' LEU . 1.5 m -40.75 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 0.773 . . . . 0.0 110.384 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.87 118.18 14.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.78 HG22 ' HB1' ' A' ' 93' ' ' ALA . 54.4 t -111.56 112.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 18' ' ' THR . 5.4 tt0 -89.15 123.04 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 110.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.632 ' HE1' HD11 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -125.01 127.02 46.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 0.1 OUTLIER -97.38 104.41 16.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.2 m -102.74 154.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.76 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.8 t90 -106.8 125.98 51.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 107.994 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.466 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.59 157.44 35.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 110.337 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 0.3 OUTLIER -86.97 146.98 25.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 71.7 p -79.56 111.8 16.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.28 135.22 33.99 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.461 1.1 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -51.64 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.93 -57.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.6 t -162.87 114.66 1.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.038 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.07 157.58 42.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -93.55 170.17 9.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.41 -123.27 2.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -165.75 136.76 3.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 0.783 . . . . 0.0 109.994 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -85.36 116.63 23.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.56 -77.03 0.21 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.469 1.106 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.38 115.32 6.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.26 20.81 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.21 126.44 53.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 65.66 142.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.7 mt -107.88 132.3 55.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' GLU . 10.0 pt-20 -178.01 139.92 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.341 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.598 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 6.3 mt-10 -37.82 154.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.578 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.2 pt-20 -121.91 167.37 13.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -83.8 140.95 31.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 110.279 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.578 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.4 OUTLIER -137.76 161.18 37.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.481 HG22 ' HG2' ' A' ' 98' ' ' GLN . 1.4 m -134.72 106.07 6.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.401 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 64' ' ' VAL . 6.9 tp -92.97 161.0 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.6 m -135.73 134.77 39.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.405 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 9.3 mt -128.62 152.79 37.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -104.5 116.12 31.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.6 ttp85 -70.89 139.08 50.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.45 -73.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.8 p -93.71 103.48 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.44 -145.57 39.19 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -126.7 78.74 0.38 Allowed Glycine 0 CA--C 1.53 0.989 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mt 70.09 173.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 0.76 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 54' ' ' SER . . . -136.64 55.47 0.7 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.723 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.1 pp -138.52 175.3 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 1.0 OUTLIER -128.5 162.11 27.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.977 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.43 ' HB ' HG23 ' A' ' 48' ' ' ILE . 38.8 pt -132.71 158.17 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -144.13 163.86 32.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.36 -116.3 4.68 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 36' ' ' LYS . . . 61.06 127.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 35' ' ' GLY . 23.3 ttpt -40.27 108.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.67 45.91 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.521 1.138 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.9 167.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 0.0 109.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.532 HG23 ' HD2' ' A' ' 40' ' ' PRO . 3.1 m -69.88 141.0 89.21 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.532 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -75.04 159.88 40.69 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -93.76 -32.64 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -135.1 127.6 30.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 44.78 -149.2 1.12 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -103.17 64.75 0.84 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 0.754 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.26 124.29 40.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.79 50.64 2.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.16 165.82 17.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 48' ' ' ILE . 26.7 mm -96.12 112.13 27.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 0.783 . . . . 0.0 109.261 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.1 m-85 -116.18 153.92 30.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.968 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.433 HG21 HG23 ' A' ' 53' ' ' VAL . 11.0 mm -68.91 127.01 30.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.32 -30.2 12.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' N ' ' HB2' ' A' ' 31' ' ' SER . 1.8 ttm180 -152.79 155.65 37.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.723 ' HA ' HG22 ' A' ' 30' ' ' ILE . 5.8 t -138.2 95.53 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 29' ' ' GLY . 73.1 m -45.58 107.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.91 -44.99 67.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -97.96 36.51 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -111.12 179.37 19.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -35.62 3.04 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.698 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -58.01 -56.41 22.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.25 -45.66 4.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.01 -48.81 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.3 38.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.342 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.67 31.56 2.72 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.698 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -77.34 156.9 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.507 0.769 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -139.46 133.74 31.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 80.6 t -59.37 141.32 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.74 -6.36 60.51 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' OD1' ' CD ' ' A' ' 103' ' ' ARG . 0.4 OUTLIER -68.32 133.59 48.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 0.753 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 39.4 tttm -91.2 106.81 18.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.055 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -65.12 133.48 51.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.769 HD21 ' HB2' ' A' ' 102' ' ' TRP . 4.5 mt -114.62 -40.64 3.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -143.85 159.3 42.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.286 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.019 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.8 t -150.45 99.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.615 ' ND2' ' HB1' ' A' ' 93' ' ' ALA . 0.4 OUTLIER 75.99 8.71 3.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.62 -20.91 17.46 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.434 1.084 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.019 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.1 p -74.19 131.33 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.12 118.29 19.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.2 mt -96.57 31.78 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -92.98 115.53 28.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 62.91 33.65 87.68 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.29 140.06 35.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 0.802 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 33.8 mt-10 -63.97 161.76 15.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -48.22 -55.39 10.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.563 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.8 p80 -50.69 -51.96 44.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.549 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 2.5 mt-10 -48.48 -50.46 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.86 48.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.2 t -51.73 -53.28 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -53.52 10.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.62 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -57.74 -45.82 85.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.54 -45.63 84.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -18.18 60.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 93' ' ' ALA . . . -105.24 93.54 0.92 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.553 1.158 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.615 ' HB1' ' ND2' ' A' ' 74' ' ' ASN . . . -179.19 134.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -69.1 -162.89 3.04 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.45 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 18.2 m -46.5 -81.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 0.745 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.42 105.07 0.57 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.524 HG22 ' HB1' ' A' ' 93' ' ' ALA . 54.8 t -101.25 109.46 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.481 ' HG2' HG22 ' A' ' 18' ' ' THR . 6.1 tt0 -89.17 125.67 35.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.562 1.164 . . . . 0.0 110.328 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.4 mtm -125.07 115.41 20.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 6.9 ttt180 -88.03 104.81 17.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.055 HG12 HD22 ' A' ' 70' ' ' LEU . 29.8 m -103.94 164.96 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.769 ' HB2' HD21 ' A' ' 71' ' ' LEU . 10.9 t90 -117.78 124.64 48.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.516 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.73 160.44 39.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -88.61 145.71 25.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.2 t -161.9 92.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.51 159.26 23.1 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.488 1.118 . . . . 0.0 111.028 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.28 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.1 m -61.29 103.25 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.038 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 m -96.53 -58.58 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.8 t -128.45 145.36 51.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 0.729 . . . . 0.0 110.001 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 p -117.39 150.77 38.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.989 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.62 -140.41 6.01 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.9 p -175.72 163.31 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.53 157.75 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.66 -169.92 12.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -87.1 151.12 51.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 123.88 8.23 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -96.04 147.92 23.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -92.03 150.98 20.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.8 mm -110.91 132.72 58.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -176.26 133.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.608 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 89.7 mt-10 -45.08 156.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.637 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.7 pt-20 -112.86 170.27 8.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.313 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.881 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.5 OUTLIER -86.76 145.05 26.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.881 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -143.99 158.86 43.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.412 HG22 ' HG2' ' A' ' 98' ' ' GLN . 7.5 m -135.18 115.39 13.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.564 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -100.95 160.67 14.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -135.5 119.74 17.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.391 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.512 ' CD1' ' HE2' ' A' ' 99' ' ' MET . 5.0 mt -108.12 152.32 9.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -108.24 109.75 21.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.473 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.2 ttt180 -73.68 146.38 44.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.115 . . . . 0.0 110.275 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 176.99 -47.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.1 p -114.43 94.42 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.386 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.01 -156.45 39.98 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -116.34 70.34 0.28 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 mt 68.86 -171.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 0.774 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -146.07 56.84 0.52 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.593 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pp -142.73 155.78 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 0.785 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.31 136.87 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.6 pt -101.93 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.547 ' HB2' ' HB3' ' A' ' 51' ' ' SER . . . -140.63 111.49 7.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.35 -161.15 23.89 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.52 1.137 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.91 148.35 7.14 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -40.56 136.08 1.42 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.552 0.795 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.01 -54.57 4.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.69 170.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.533 0.784 . . . . 0.0 110.024 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.749 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.6 m -73.22 146.42 86.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.749 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.95 155.31 43.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.523 1.801 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.45 -33.98 10.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HD2' ' CE2' ' A' ' 49' ' ' PHE . 5.0 tttt -86.84 -78.64 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -146.16 -91.26 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.42 28.44 8.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 0.766 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.92 118.97 38.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -87.76 44.15 1.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.99 167.05 22.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 48' ' ' ILE . 22.4 mm -95.58 106.7 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.458 0.74 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 41.1 m-85 -112.33 154.54 25.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.573 HG21 ' CG2' ' A' ' 53' ' ' VAL . 45.7 mm -73.44 130.01 35.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.547 ' HB3' ' HB2' ' A' ' 33' ' ' ALA . 59.6 p -100.62 -32.37 10.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -148.59 147.93 29.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 110.302 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.593 HG22 HG22 ' A' ' 30' ' ' ILE . 9.5 t -135.2 109.14 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 m -46.07 109.11 0.16 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.0 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -50.79 -49.82 57.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.335 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -104.31 35.1 2.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -100.71 178.41 28.59 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.17 6.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.49 1.784 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -59.25 -60.7 3.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.58 -41.41 1.02 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -63.27 -48.59 77.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.564 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -50.16 -38.09 37.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 118.01 29.69 1.94 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.69 HG11 ' HB1' ' A' ' 59' ' ' ALA . 4.8 p -81.97 158.78 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -142.37 155.39 45.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.1 t -73.34 120.07 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.86 8.64 34.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.107 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.475 ' HB2' ' CG1' ' A' ' 50' ' ' ILE . 7.9 m-20 -71.24 126.99 31.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 18.0 tttt -85.72 97.35 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.917 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -60.78 127.15 30.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 102' ' ' TRP . 3.9 mt -108.31 -39.69 5.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -147.21 160.3 42.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.052 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.2 t -148.05 107.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.3 m120 66.76 9.8 7.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.47 -19.35 19.57 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.052 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.5 p -71.43 139.27 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -85.75 119.27 25.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.516 HD22 ' HA ' ' A' ' 86' ' ' ALA . 25.3 mt -104.18 33.18 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -93.32 115.52 28.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 56.75 33.88 63.87 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.42 144.27 27.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.738 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.505 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 2.4 mm-40 -64.12 155.09 32.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -43.83 -58.12 2.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 109.612 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 10.1 p80 -47.2 -54.98 9.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.614 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.565 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 2.5 mt-10 -47.68 -49.6 27.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.516 ' HA ' HD22 ' A' ' 78' ' ' LEU . . . -64.79 -56.8 11.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.1 t -48.08 -57.28 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -53.31 18.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 1.025 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -45.68 -54.67 7.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -51.3 -52.3 46.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.72 -44.93 63.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.55 85.64 1.25 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.651 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -168.59 136.09 2.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 0.782 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -81.06 -155.4 12.5 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.473 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 34.0 m -53.22 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 110.399 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -73.26 102.91 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.651 HG22 ' HB1' ' A' ' 93' ' ' ALA . 94.7 t -97.96 121.59 48.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 18' ' ' THR . 2.2 tt0 -99.12 127.88 45.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.515 ' HE1' HD11 ' A' ' 30' ' ' ILE . 4.0 mtm -130.6 115.62 16.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 2.3 ttm180 -88.57 105.86 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.917 HG12 HD22 ' A' ' 70' ' ' LEU . 26.8 m -102.18 169.63 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.78 ' HB2' HD11 ' A' ' 71' ' ' LEU . 11.0 t90 -125.15 125.33 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 107.971 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.832 ' HB2' HD11 ' A' ' 17' ' ' LEU . 5.3 mtp-105 -155.49 157.84 37.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -93.23 122.06 35.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.8 t -128.99 76.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -62.43 170.52 12.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.451 1.094 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 145.41 31.37 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.3 p -171.28 99.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.031 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.2 p -60.23 136.19 57.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 110.027 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.12 . . . . 0.0 111.004 -179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -157.75 103.95 1.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 110.022 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.42 165.05 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.5 80.27 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -130.16 132.11 45.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.999 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.65 136.43 13.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.46 -138.8 9.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -156.22 119.51 2.32 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.504 0.767 . . . . 0.0 110.328 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 159.25 41.67 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.71 143.92 49.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.6 mtt85 -76.97 151.52 35.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 6.9 mt -101.93 136.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -174.78 136.99 0.43 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.572 1.17 . . . . 0.0 110.332 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.615 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.6 OUTLIER -37.77 155.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' TRP . 5.2 pt-20 -122.31 168.51 11.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.9 mt-10 -87.77 132.61 34.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.251 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 103' ' ' ARG . 4.4 mt -135.33 160.58 37.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.9 m -126.79 141.73 51.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.368 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.7 mt -132.81 161.08 35.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.7 m -135.2 134.3 39.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 28' ' ' LEU . 9.9 mt -122.51 153.68 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.417 ' N ' ' CD2' ' A' ' 22' ' ' LEU . 0.1 OUTLIER -101.58 120.39 40.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 0.2 OUTLIER -81.68 103.38 11.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -124.68 116.02 21.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 p 40.09 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.348 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.3 -132.73 10.67 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' HA2' ' NH1' ' A' ' 23' ' ' ARG . . . -133.35 -119.32 2.0 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 21' ' ' ILE . 43.1 mt -111.89 -177.39 3.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 0.775 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.86 61.12 0.66 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.548 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -143.09 162.51 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 m -119.89 142.73 48.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.0 pt -114.41 164.89 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.352 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -166.23 136.92 3.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 122.87 -107.69 1.15 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.61 -129.13 10.84 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -129.15 136.88 50.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.252 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.65 -57.58 3.77 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.973 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.47 168.27 2.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 110.009 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.645 HG23 ' HD2' ' A' ' 40' ' ' PRO . 5.2 m -71.22 144.84 90.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.365 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.645 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.2 Cg_endo -74.98 141.98 27.37 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.498 1.789 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -60.85 -31.95 71.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.401 ' HD3' ' CE2' ' A' ' 49' ' ' PHE . 12.0 ptmt -163.24 131.74 3.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.6 165.89 0.55 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -73.97 73.31 1.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -141.37 107.22 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -75.53 56.39 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.22 170.92 14.82 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mm -96.77 112.84 29.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE1' ' HG3' ' A' ' 69' ' ' LYS . 5.3 m-85 -116.94 151.4 36.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.446 HG21 HG23 ' A' ' 53' ' ' VAL . 39.5 mm -68.77 126.5 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.26 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 t -94.5 -35.58 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.7 tpt85 -154.66 151.15 28.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.446 HG23 HG21 ' A' ' 50' ' ' ILE . 8.8 t -128.74 105.91 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.2 m -45.79 106.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -55.79 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -108.28 66.84 0.66 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -129.54 -173.49 13.42 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -34.91 3.49 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.782 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.855 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -63.85 -57.32 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.52 -42.54 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -63.7 -48.46 77.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -51.6 -37.1 48.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.57 32.52 2.48 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.855 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.8 p -81.27 151.44 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HB2' ' NH2' ' A' ' 103' ' ' ARG . 98.1 mtt180 -141.45 132.8 26.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -51.75 138.99 8.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 106.47 -25.63 22.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.556 ' OD2' HG21 ' A' ' 101' ' ' VAL . 0.4 OUTLIER -51.79 139.3 21.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 44.3 tttm -104.04 94.17 5.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.083 HD21 HG23 ' A' ' 73' ' ' VAL . 2.3 tt -51.33 149.53 4.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.767 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.2 mt -131.53 -42.2 1.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.404 ' OE2' ' HA ' ' A' ' 77' ' ' ALA . 0.4 OUTLIER -137.06 154.61 50.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.333 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.083 HG23 HD21 ' A' ' 70' ' ' LEU . 2.0 t -144.71 101.29 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.28 6.44 3.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.19 -19.42 17.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.464 1.102 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.021 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.8 p -73.52 129.19 36.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 0.76 . . . . 0.0 109.353 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HA ' ' OE2' ' A' ' 72' ' ' GLU . . . -75.76 119.89 20.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 86' ' ' ALA . 29.7 mt -113.6 45.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.36 105.08 17.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.331 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 66.77 34.71 88.17 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.443 1.089 . . . . 0.0 111.038 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.7 167.56 12.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.45 ' CB ' ' CE1' ' A' ' 84' ' ' HIS . 5.5 mm-40 -75.83 149.59 37.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -50.72 -36.72 37.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.602 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 85' ' ' GLU . 6.5 p-80 -65.33 -44.26 88.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.597 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.527 ' N ' ' CD2' ' A' ' 84' ' ' HIS . 4.0 mt-10 -58.91 -43.9 91.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.422 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -62.26 -55.81 24.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.0 t -50.75 -56.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -53.79 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.585 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -51.73 -53.78 35.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.359 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -50.61 -54.79 20.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -49.7 -43.13 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -82.98 91.58 1.6 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.954 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -169.88 133.87 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -81.45 -161.61 27.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.462 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 m -44.66 -75.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 0.787 . . . . 0.0 110.404 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -74.29 106.12 5.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.261 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.954 HG22 ' HB1' ' A' ' 93' ' ' ALA . 76.5 t -101.9 116.15 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -95.08 136.01 35.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.094 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.768 ' HG2' HG22 ' A' ' 73' ' ' VAL . 67.6 mtm -142.08 121.66 13.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 71' ' ' LEU . 4.6 ttt180 -88.2 107.04 18.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.556 HG21 ' OD2' ' A' ' 68' ' ' ASP . 33.5 m -101.08 151.75 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.767 ' HB2' HD11 ' A' ' 71' ' ' LEU . 4.8 t90 -104.43 124.42 49.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.004 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.503 ' HB3' HD12 ' A' ' 17' ' ' LEU . 23.8 ttm180 -156.89 149.42 23.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' A' ' 103' ' ' ARG . 0.6 OUTLIER -82.18 131.62 35.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.347 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.2 t -148.19 105.7 3.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -108.79 151.69 17.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 69.96 5.4 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.449 1.763 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 110' ' ' GLY . 24.0 m -115.55 86.07 2.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.008 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.3 m 66.84 -71.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 108' ' ' SER . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.499 1.125 . . . . 0.0 110.976 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -67.45 132.19 47.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 0.746 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -121.6 -57.62 1.81 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.055 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.48 -165.06 0.14 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -56.23 168.08 0.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -110.31 157.02 19.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.26 -87.03 1.1 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.445 1.091 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 65.4 115.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 110.283 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 162.59 36.79 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.467 1.772 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.62 170.58 8.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -83.49 132.69 34.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mm -111.71 136.17 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -173.96 136.03 0.51 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.593 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 20.7 mt-10 -39.18 148.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.407 ' C ' ' CD1' ' A' ' 102' ' ' TRP . 7.8 pt-20 -116.58 165.58 13.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 71' ' ' LEU . 1.1 mp0 -86.05 139.74 30.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.332 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.595 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.9 mt -134.36 154.05 51.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.9 m -127.37 113.36 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.48 150.93 25.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 5.9 m -127.6 110.06 12.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.411 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 97' ' ' VAL . 4.6 mt -98.44 158.99 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.021 HD12 ' N ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -110.39 130.45 55.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 1.021 ' N ' HD12 ' A' ' 22' ' ' LEU . 5.2 ttt-85 -67.51 85.43 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -108.54 165.89 11.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p 41.61 -160.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -40.34 -54.85 3.18 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -179.06 -164.11 31.21 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.549 ' CD1' HD22 ' A' ' 90' ' ' LEU . 54.9 mt -50.6 176.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -141.75 54.16 0.63 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.746 HG22 HG22 ' A' ' 53' ' ' VAL . 1.1 pp -146.62 156.08 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.6 t -117.44 145.76 43.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 pt -113.8 157.25 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -155.1 150.24 26.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.55 -138.26 13.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.455 1.097 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.5 -125.92 6.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 28.6 ttmt -131.58 130.14 41.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.69 -55.52 4.86 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.93 173.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 0.797 . . . . 0.0 109.988 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 32.5 m -68.59 135.84 90.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.388 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 18.2 Cg_endo -75.01 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.476 1.777 . . . . 0.0 111.013 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -96.05 -34.05 11.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -103.61 -79.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' O ' ' CB ' ' A' ' 40' ' ' PRO . . . -140.05 -144.85 4.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -75.54 71.8 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -144.03 110.13 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.75 56.17 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.83 159.29 14.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.0 mm -92.51 127.37 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 6.9 m-85 -130.06 156.85 43.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.53 HG21 HG23 ' A' ' 53' ' ' VAL . 19.2 mm -69.12 132.78 32.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 t -101.43 -33.96 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.957 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.12 153.38 30.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.746 HG22 HG22 ' A' ' 30' ' ' ILE . 3.1 t -137.85 107.19 4.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.6 m -54.96 133.61 48.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.48 -53.79 42.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.322 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -97.33 55.09 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -122.13 179.42 16.21 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.96 -40.98 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.503 1.791 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.812 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -54.11 -57.88 9.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -39.58 -49.54 2.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -54.76 -53.64 52.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.298 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.53 5.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.32 32.83 5.08 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.11 . . . . 0.0 110.951 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.812 HG11 ' HB1' ' A' ' 59' ' ' ALA . 8.5 p -76.57 156.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 0.792 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -140.07 134.87 31.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.26 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 72.9 t -57.01 142.36 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.08 -4.25 70.9 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.982 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -66.38 127.01 30.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.734 . . . . 0.0 109.321 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.569 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 14.0 tttm -84.79 100.61 11.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.513 HD11 ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -63.13 142.53 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.865 HD11 ' HB2' ' A' ' 102' ' ' TRP . 4.9 mt -123.49 -42.99 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -147.02 148.75 32.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.549 1.155 . . . . 0.0 110.291 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.977 ' O ' HG12 ' A' ' 76' ' ' VAL . 21.2 t -137.38 113.46 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER 77.48 3.6 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.322 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 114.08 -21.83 14.99 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.977 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.95 131.2 35.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.74 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.68 117.64 19.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.314 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 86' ' ' ALA . 43.9 mt -107.31 35.25 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -54.77 -97.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.58 45.74 3.49 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -97.81 151.3 20.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 0.805 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.451 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 28.0 mt-10 -79.96 174.84 11.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -54.38 -60.02 3.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 109.543 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.451 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 6.8 p80 -48.7 -52.87 21.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.623 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -46.58 -42.87 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -65.09 -58.22 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.8 t -46.14 -57.27 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.72 -56.54 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.777 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -53.21 -56.55 15.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.359 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.549 HD22 ' CD1' ' A' ' 28' ' ' LEU . 13.5 mt -46.77 -55.05 8.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -49.81 -45.12 49.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -79.25 65.48 3.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -147.04 122.45 10.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -68.76 -162.12 2.52 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.43 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 15.1 p -47.66 -74.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.365 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.93 107.23 3.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' ILE . 49.5 t -101.01 143.82 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 74' ' ' ASN . 26.5 tt0 -120.85 138.96 53.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.611 ' HE1' HD11 ' A' ' 30' ' ' ILE . 2.3 mtm -139.07 124.75 19.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' LEU . 20.2 ttt180 -100.67 104.48 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -105.45 153.98 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.865 ' HB2' HD11 ' A' ' 71' ' ' LEU . 18.8 t90 -105.77 123.79 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 107.985 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.595 ' HB3' HD11 ' A' ' 17' ' ' LEU . 11.1 ttm-85 -156.84 159.59 38.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 18.7 tt0 -88.68 141.61 28.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.286 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 m -145.16 95.99 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -94.23 -174.69 39.06 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -44.96 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.551 1.816 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m -119.15 164.04 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.985 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -108.54 129.05 55.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.04 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -69.09 167.96 14.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 0.741 . . . . 0.0 109.996 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -45.68 142.33 2.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.97 138.6 6.85 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.26 140.7 25.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 0.749 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -98.69 125.58 44.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.128 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.12 173.99 21.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 110.954 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.02 156.35 0.23 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 119.15 5.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.51 1.795 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.48 171.03 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.92 149.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.1 mt -120.65 142.33 37.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -177.49 138.37 0.22 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.484 1.115 . . . . 0.0 110.254 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.621 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 8.1 mt-10 -38.8 153.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.568 ' CG ' HD21 ' A' ' 17' ' ' LEU . 7.7 pt-20 -121.33 165.29 15.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.565 1.166 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -85.95 136.7 33.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.7 OUTLIER -134.44 165.9 24.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -134.5 108.88 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tp -96.01 160.07 14.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.43 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 6.9 m -136.25 134.58 38.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.665 HG21 HD22 ' A' ' 28' ' ' LEU . 10.3 mt -128.06 152.12 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.88 111.05 23.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -91.28 121.12 32.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -125.8 -42.48 1.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.0 t -134.18 160.41 37.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.381 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 40.95 -102.85 0.03 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.456 1.098 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -145.39 -103.29 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.665 HD22 HG21 ' A' ' 21' ' ' ILE . 18.7 mt -130.37 -163.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -136.57 57.47 0.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.483 1.114 . . . . 0.0 111.033 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.558 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.1 pt -143.19 139.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.349 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.52 139.15 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 pt -113.1 157.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -154.45 130.77 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 120.78 -150.25 17.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.126 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.95 160.09 16.66 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -62.11 145.33 53.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.782 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.21 -59.84 4.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.18 170.8 7.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 0.777 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.428 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 0.9 OUTLIER -67.14 142.17 96.85 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.394 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.97 156.26 43.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.541 1.811 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 49' ' ' PHE . 85.8 t80 -88.15 -33.4 18.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -134.78 115.38 13.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 48.0 -166.21 0.17 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.26 73.6 7.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 0.75 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -136.41 113.93 10.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -79.56 54.11 1.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -117.89 167.37 12.83 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.0 mm -101.13 117.3 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.514 ' HB2' ' CD2' ' A' ' 41' ' ' TYR . 7.2 m-85 -114.69 154.42 28.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.505 HD11 ' OD2' ' A' ' 68' ' ' ASP . 38.5 mm -68.36 133.14 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.51 -45.9 5.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 110.024 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.04 136.48 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.257 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.479 ' HA ' HG22 ' A' ' 30' ' ' ILE . 22.2 t -107.55 100.42 10.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.48 117.39 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.17 -53.02 59.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -97.22 59.59 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.26 -179.33 16.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.421 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.95 -48.35 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.69 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -47.3 -56.02 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.41 -50.45 3.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.152 . . . . 0.0 109.331 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -53.37 -49.56 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.304 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 20' ' ' THR . . . -53.07 -40.7 64.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.58 31.68 2.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.69 HG11 ' HB1' ' A' ' 59' ' ' ALA . 11.6 p -68.52 157.3 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.47 141.47 39.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 77.3 t -61.52 146.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.58 -26.19 19.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.505 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 0.0 OUTLIER -40.47 129.51 2.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.314 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 28.6 tttm -98.44 89.58 4.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.812 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -48.28 132.29 16.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 102' ' ' TRP . 20.3 mt -113.04 -41.92 3.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 1.4 mt-10 -144.73 161.26 39.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.986 ' O ' HG12 ' A' ' 76' ' ' VAL . 10.0 t -147.89 100.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.257 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.69 10.56 6.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.43 -19.41 19.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.526 1.141 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.4 p -72.8 136.77 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.42 117.18 22.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.442 HD11 HG21 ' A' ' 73' ' ' VAL . 21.7 mt -97.62 -15.38 20.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.69 89.91 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.72 28.38 4.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.42 145.66 42.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 0.79 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.423 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 13.6 mt-10 -70.58 164.27 25.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.281 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 86' ' ' ALA . 3.5 t60 -46.35 -64.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.636 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.541 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.5 p80 -42.35 -54.89 3.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.589 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.541 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.9 mt-10 -49.84 -40.47 42.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.441 ' O ' ' HB3' ' A' ' 89' ' ' ALA . . . -66.78 -59.73 3.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 91' ' ' ARG . 72.5 t -47.59 -57.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -47.42 -51.53 19.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.654 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -45.59 -47.32 14.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.578 HD22 HD12 ' A' ' 28' ' ' LEU . 33.8 mt -64.83 -49.03 72.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.427 ' HD2' HG12 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -51.37 -39.61 57.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.11 88.1 1.39 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.648 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -173.08 141.56 0.98 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 0.768 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.414 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -81.57 -170.69 44.43 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 96' ' ' ALA . 80.3 p -39.1 -79.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 0.724 . . . . 0.0 110.38 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -66.31 108.09 2.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.648 HG22 ' HB1' ' A' ' 93' ' ' ALA . 68.2 t -105.97 115.57 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -93.72 131.29 39.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 110.27 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.48 ' SD ' HD21 ' A' ' 90' ' ' LEU . 5.6 mtm -132.86 122.77 24.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 3.2 ttm180 -87.75 105.14 17.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.812 HG12 HD22 ' A' ' 70' ' ' LEU . 35.8 m -102.14 155.41 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.721 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.8 t90 -112.33 126.81 55.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 108.014 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.753 ' HB3' HD11 ' A' ' 17' ' ' LEU . 14.1 ttm-85 -156.98 156.08 32.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 110.345 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 1.7 tm-20 -91.12 133.18 35.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.1 t -169.28 100.56 0.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.06 150.85 19.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 163.45 35.25 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.465 1.771 . . . . 0.0 110.983 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.1 t -172.04 133.05 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.5 t -47.44 121.47 3.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.033 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -100.35 -58.48 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 0.756 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 t -146.74 159.97 42.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.98 -90.38 2.04 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.14 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.49 156.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 0.802 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -58.29 169.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.13 -78.27 1.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -170.09 150.11 3.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 110.281 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 129.22 12.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.523 1.801 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -165.09 161.78 19.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 65.87 145.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.339 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.9 mt -111.8 141.79 26.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -177.53 139.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 10.4 mt-10 -38.0 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.0 pt-20 -121.39 167.92 12.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.538 ' O ' HD23 ' A' ' 17' ' ' LEU . 2.3 mt-10 -86.19 135.31 33.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.8 OUTLIER -136.41 150.39 48.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 m -120.32 129.8 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 53.6 mt -125.1 152.24 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.1 m -127.52 130.12 48.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.39 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.466 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 8.9 mt -118.59 150.26 20.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.416 HD23 ' C ' ' A' ' 21' ' ' ILE . 1.5 mt -104.06 129.7 51.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.478 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 1.5 ttt180 -83.89 170.03 14.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -161.3 -52.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.263 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.67 -49.13 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.358 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -105.85 98.34 1.39 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.901 ' C ' HD22 ' A' ' 28' ' ' LEU . . . -35.3 97.13 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.901 HD22 ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER 56.54 168.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.43 70.48 0.44 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.684 HG22 ' HA ' ' A' ' 53' ' ' VAL . 2.7 pt -143.61 160.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -110.74 136.01 50.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 90' ' ' LEU . 44.3 pt -107.94 166.95 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -160.42 156.55 26.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.96 -134.35 11.65 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.46 147.45 8.47 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -51.61 145.51 8.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 0.792 . . . . 0.0 109.291 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 49.98 69.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.6 t -171.25 166.06 7.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 0.8 . . . . 0.0 109.972 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.451 HG23 ' HD2' ' A' ' 40' ' ' PRO . 1.7 m -70.43 138.81 86.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.451 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.98 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 5.0 t80 -98.38 -33.56 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.84 -80.84 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -139.28 -147.18 5.05 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -70.32 66.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.328 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -143.2 113.88 7.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.59 53.61 1.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -109.16 163.45 12.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mm -95.93 118.4 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 9.4 m-85 -121.32 150.95 40.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.97 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.541 HG21 HG23 ' A' ' 53' ' ' VAL . 25.1 mm -68.62 128.87 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.43 -39.48 10.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.016 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -151.33 149.36 29.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.684 ' HA ' HG22 ' A' ' 30' ' ' ILE . 11.0 t -127.17 121.77 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.675 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 7.3 m -72.09 106.71 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.992 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -58.15 -35.86 72.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -96.36 22.73 7.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.04 -178.94 21.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.547 ' HA ' ' CD ' ' A' ' 61' ' ' ARG . 18.2 Cg_endo -75.01 -43.58 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -50.94 -43.83 60.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -54.55 -43.82 72.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.547 ' CD ' ' HA ' ' A' ' 58' ' ' PRO . 0.0 OUTLIER -58.74 -58.57 7.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ARG . . . -40.64 -39.63 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 112.12 30.87 2.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 59' ' ' ALA . 6.6 p -69.61 160.19 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 0.735 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -141.96 137.79 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 55.6 t -61.11 137.41 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.51 5.93 61.39 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.32 115.81 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 44.5 tttm -78.61 95.83 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.692 HD21 ' CG2' ' A' ' 73' ' ' VAL . 6.4 tp -52.77 146.24 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.719 HD11 ' HB2' ' A' ' 102' ' ' TRP . 15.3 mt -127.0 -41.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.6 mt-10 -139.66 163.77 31.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.033 ' O ' HG12 ' A' ' 76' ' ' VAL . 25.2 t -150.79 98.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.01 11.55 6.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.98 -21.83 15.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.033 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.0 p -71.24 134.35 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 0.774 . . . . 0.0 109.22 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.04 117.04 21.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.642 HD12 ' CG2' ' A' ' 73' ' ' VAL . 41.5 mt -108.1 42.57 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.27 110.5 22.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 67.53 28.8 73.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.507 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -90.61 151.96 21.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 0.745 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 38.1 mt-10 -71.98 165.54 24.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -50.02 -53.03 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.625 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 12.5 p80 -50.43 -53.66 27.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.615 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.557 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.4 mt-10 -45.5 -50.14 13.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.02 -56.72 17.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.9 t -48.8 -54.66 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.17 -50.51 37.5 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.674 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -65.19 -37.36 87.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD11 HD13 ' A' ' 32' ' ' ILE . 24.4 mt -62.0 -49.19 77.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 92' ' ' GLY . 3.4 ptt180 -72.5 -27.37 62.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 91' ' ' ARG . . . -82.71 75.23 2.4 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.947 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -164.92 -176.35 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.642 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -138.37 -158.02 7.62 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.7 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -38.31 -73.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.412 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.7 ' H ' HG23 ' A' ' 95' ' ' THR . . . -83.3 115.26 21.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.947 HG22 ' HB1' ' A' ' 93' ' ' ALA . 71.1 t -115.55 109.71 29.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -82.74 119.31 24.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.514 ' CE ' HD11 ' A' ' 30' ' ' ILE . 3.9 mtm -123.76 126.46 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.2 ttm180 -99.51 105.69 17.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -101.92 151.37 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.719 ' HB2' HD11 ' A' ' 71' ' ' LEU . 5.4 t90 -103.11 127.04 50.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.034 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.676 ' HB3' HD11 ' A' ' 17' ' ' LEU . 2.8 ttm-85 -156.71 155.25 31.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.428 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -93.06 137.77 32.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.9 t -91.85 112.53 24.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.9 -160.56 29.01 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.12 4.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 t -74.79 129.97 38.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.039 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 56.16 166.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.978 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.456 1.097 . . . . 0.0 110.996 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -155.96 144.34 20.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.746 . . . . 0.0 110.018 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.35 156.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.52 -100.2 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -50.07 -57.07 8.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 0.758 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.54 169.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.39 -147.15 7.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -166.48 92.86 0.77 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.474 0.749 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.22 5.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.489 1.784 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.4 126.15 20.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -57.64 129.96 44.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.281 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.8 mt -105.31 134.74 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' GLU . 8.6 pt-20 -177.89 140.48 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.598 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 5.5 mt-10 -38.38 157.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.9 pt-20 -126.19 168.28 14.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.8 mt-10 -87.01 136.26 32.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.512 HD21 ' HG3' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -133.91 161.04 35.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 55.2 m -132.21 134.5 45.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.406 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.1 mt -132.08 151.8 51.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -126.64 133.1 51.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.425 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.481 ' CG2' ' HB2' ' A' ' 58' ' ' PRO . 7.7 mt -118.06 150.16 20.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.02 117.97 30.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 9.0 ttt85 -76.65 112.96 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.274 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' THR . 1.7 mm-40 -131.76 111.65 11.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' GLN . 70.1 p 36.42 71.67 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.413 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.41 161.68 10.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.591 ' O ' HD23 ' A' ' 28' ' ' LEU . . . -60.49 -103.85 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 27' ' ' GLY . 0.6 OUTLIER -137.86 -179.69 5.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.51 65.59 0.42 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.635 HG23 ' CB ' ' A' ' 59' ' ' ALA . 1.0 OUTLIER -144.13 151.8 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.558 0.799 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.6 m -116.25 142.82 46.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 90' ' ' LEU . 13.2 pt -116.11 159.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -150.51 134.99 17.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 106.29 -144.59 15.85 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.2 -130.03 5.61 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.4 ' CG ' ' N ' ' A' ' 37' ' ' GLY . 1.4 ttpp -86.39 -111.28 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 0.777 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.4 ' N ' ' CG ' ' A' ' 36' ' ' LYS . . . -71.57 57.67 1.25 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.42 169.42 17.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.5 m -68.58 129.39 92.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 148.88 35.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.46 1.768 . . . . 0.0 110.954 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -73.44 -22.16 60.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -166.39 130.49 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.05 167.72 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.06 76.08 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.79 101.67 4.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -72.29 57.98 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -121.87 167.17 14.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.7 mm -90.03 118.36 35.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 0.798 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.0 m-85 -119.47 154.58 33.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.434 ' CG2' ' HA ' ' A' ' 66' ' ' VAL . 20.8 mm -69.62 125.79 28.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.93 -38.59 11.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.84 154.19 33.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.554 HG22 HG22 ' A' ' 30' ' ' ILE . 11.7 t -134.49 101.9 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -48.28 107.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 110.004 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -47.01 -51.03 18.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -94.67 38.63 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.259 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.53 -179.58 21.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . 18.4 Cg_endo -74.98 -46.47 0.24 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.645 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -51.58 -48.65 63.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.26 -42.29 30.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -62.13 -45.07 95.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.81 -32.98 64.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.68 30.2 4.12 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.16 . . . . 0.0 110.961 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.645 HG11 ' HB1' ' A' ' 59' ' ' ALA . 7.2 p -74.29 147.14 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -130.12 135.03 47.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 53.5 t -58.2 141.56 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.11 -16.5 59.24 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.503 1.127 . . . . 0.0 110.983 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.91 137.46 45.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 0.77 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.515 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 11.8 tttt -99.37 92.9 5.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.505 HD11 ' CG2' ' A' ' 73' ' ' VAL . 0.3 OUTLIER -52.12 140.8 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 102' ' ' TRP . 12.3 mt -120.42 -42.43 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 73' ' ' VAL . 1.4 tm-20 -149.75 149.12 30.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.996 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.0 t -137.85 114.42 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.5 OUTLIER 77.45 3.21 3.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -19.96 18.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.147 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.996 HG12 ' O ' ' A' ' 73' ' ' VAL . 11.8 p -76.29 130.55 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.94 117.2 16.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.8 mt -104.7 32.67 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -87.31 79.02 8.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 81' ' ' ALA . . . 119.86 -31.7 5.24 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.571 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -39.75 136.25 1.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.98 163.4 12.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -41.51 -61.57 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 15.2 p80 -47.84 -55.59 9.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.571 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 4.4 mt-10 -45.78 -43.71 13.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.82 -61.58 2.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 75.1 t -46.14 -52.88 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.79 -54.58 3.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.452 ' CB ' HG11 ' A' ' 76' ' ' VAL . . . -62.14 -42.83 99.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.433 ' CD1' HD13 ' A' ' 32' ' ' ILE . 21.4 mt -55.71 -58.07 9.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -62.79 -25.76 68.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.54 92.47 1.61 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.866 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -172.6 162.78 5.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 0.788 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -104.06 -164.53 24.86 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.504 1.128 . . . . 0.0 111.062 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.756 HG23 ' H ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -39.64 -74.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 110.42 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.756 ' H ' HG23 ' A' ' 95' ' ' THR . . . -78.51 107.37 11.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.866 HG22 ' HB1' ' A' ' 93' ' ' ALA . 55.3 t -100.04 108.56 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.105 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -82.75 124.32 30.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.471 ' HE2' HD11 ' A' ' 21' ' ' ILE . 9.5 mtm -127.43 117.36 22.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' LEU . 8.5 ttt180 -90.75 105.24 17.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 33.1 m -101.55 161.13 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.734 ' HB2' HD21 ' A' ' 71' ' ' LEU . 5.3 t90 -115.89 125.53 52.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 108.008 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.461 ' CB ' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -156.42 158.62 37.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.268 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -90.74 139.43 30.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 110.306 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.7 m -137.58 113.16 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.059 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.9 144.97 11.08 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 111.005 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 86.32 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.0 m -153.42 155.06 35.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.51 90.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 110.048 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.929 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -82.63 147.81 28.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -128.19 161.34 29.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.955 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.71 166.1 13.12 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.533 1.146 . . . . 0.0 110.972 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 p -109.27 112.92 25.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.767 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -134.39 83.98 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.88 -90.81 2.13 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.488 1.118 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -140.11 139.21 20.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.784 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 178.67 6.94 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.12 144.49 37.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 129.88 41.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.2 mt -115.16 140.2 37.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 14' ' ' GLU . 11.4 pt-20 -178.04 141.21 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.601 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 61.0 mt-10 -37.25 144.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.594 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.8 pt-20 -116.56 166.4 12.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.494 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.4 OUTLIER -83.86 139.01 32.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' A' ' 103' ' ' ARG . 0.5 OUTLIER -137.33 152.24 49.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -132.53 114.9 14.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 110.419 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -102.22 160.48 14.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.4 m -129.39 109.92 11.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.382 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.637 ' CG2' HD12 ' A' ' 28' ' ' LEU . 5.9 mt -99.0 155.58 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 22' ' ' LEU . 6.6 mt -115.08 141.03 48.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 2.0 ttt180 -94.44 151.15 19.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.264 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -158.99 -59.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 m -135.98 -63.25 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' GLY . . . -96.53 89.94 1.12 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.54 1.15 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.898 ' C ' HD22 ' A' ' 28' ' ' LEU . . . -36.72 98.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.898 HD22 ' C ' ' A' ' 27' ' ' GLY . 0.0 OUTLIER 54.93 169.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 0.758 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.92 68.78 0.43 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.6 HD11 ' CE ' ' A' ' 99' ' ' MET . 15.2 pt -144.29 154.37 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.72 143.76 44.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 48' ' ' ILE . 24.4 pt -111.22 165.02 6.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -163.51 113.1 1.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.21 -145.67 15.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.538 1.148 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.48 171.57 22.11 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -59.19 128.36 36.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.39 -53.69 3.92 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.29 155.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 0.769 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.495 HG23 ' HD2' ' A' ' 40' ' ' PRO . 2.0 m -66.44 139.95 96.41 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 110.39 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.495 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.94 156.2 43.25 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.494 1.786 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -93.2 -30.69 15.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.52 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.43 -138.51 3.75 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -73.93 70.65 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.37 109.9 4.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -81.31 54.46 2.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.28 164.93 12.08 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.461 1.1 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.413 HG23 ' HB ' ' A' ' 32' ' ' ILE . 11.0 mm -92.8 117.38 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 42.1 m-85 -119.4 152.14 37.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.609 HG21 HG23 ' A' ' 53' ' ' VAL . 28.7 mm -69.28 129.66 33.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 t -97.74 -29.35 13.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.01 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.1 tpp180 -157.99 151.13 23.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.609 HG23 HG21 ' A' ' 50' ' ' ILE . 4.1 t -130.9 124.61 56.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 60' ' ' ALA . 2.1 m -58.66 120.96 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.47 -48.05 76.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -106.92 38.73 2.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.306 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -109.28 -179.35 21.24 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -34.0 4.11 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.691 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -55.19 -61.66 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.552 ' HB2' ' O ' ' A' ' 54' ' ' SER . . . -40.28 -46.0 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -60.48 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.63 -40.62 40.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 116.62 30.24 2.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.691 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -76.96 155.95 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.55 0.794 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -142.13 133.91 27.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' O ' ' NH2' ' A' ' 103' ' ' ARG . 56.7 t -56.51 135.29 20.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.06 7.55 60.96 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.144 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.11 125.69 28.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 49.3 tttm -84.58 93.95 8.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.836 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -54.32 124.89 17.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.671 HD11 ' HB2' ' A' ' 102' ' ' TRP . 19.6 mt -103.97 -44.34 5.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 3.4 mt-10 -142.45 159.64 41.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.979 ' O ' HG12 ' A' ' 76' ' ' VAL . 1.5 t -146.02 99.24 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.4 OUTLIER 75.84 11.48 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.32 -25.27 11.43 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.428 1.08 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.979 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.5 p -68.39 136.42 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -83.97 122.69 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 18.2 mt -108.7 25.97 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.33 97.71 7.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.37 36.72 33.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.005 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -99.31 150.1 22.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 0.771 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 18.6 mt-10 -67.83 164.55 19.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -51.11 -55.34 18.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.61 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.6 p80 -50.01 -53.98 23.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.6 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.551 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.1 mt-10 -43.75 -47.81 7.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.07 -62.36 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.5 t -41.37 -54.47 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.49 -48.38 62.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.563 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -64.36 -37.05 86.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 24.1 mt -67.09 -57.48 6.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.093 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -32.37 72.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -87.75 91.79 1.76 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.799 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -171.29 139.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -80.78 -165.17 32.91 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 19.5 p -40.61 -81.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.75 113.74 7.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.799 HG22 ' HB1' ' A' ' 93' ' ' ALA . 69.7 t -109.06 120.5 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -101.04 131.36 46.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.631 ' HG2' HG22 ' A' ' 73' ' ' VAL . 3.8 mtm -131.38 117.62 19.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.973 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 7.2 ttt180 -88.23 105.02 17.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.836 HG12 HD22 ' A' ' 70' ' ' LEU . 28.2 m -102.73 162.9 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.671 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.8 t90 -119.07 124.53 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.755 ' HB3' HD11 ' A' ' 17' ' ' LEU . 5.3 ttm-85 -157.21 157.02 33.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.448 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -89.99 138.6 31.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 33.2 t -58.76 99.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.994 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.81 -164.18 21.26 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 174.36 12.92 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.525 1.802 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 m -161.14 -61.98 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -60.36 2.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.23 143.4 22.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -54.23 162.77 0.96 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.079 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -122.65 -155.39 9.34 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.56 1.162 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.44 157.79 42.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 110.03 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -71.43 166.78 21.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.95 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.13 153.89 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.515 1.134 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -158.04 83.2 2.79 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.531 0.783 . . . . 0.0 110.339 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -174.82 2.07 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.806 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.87 166.41 30.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.31 162.33 14.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.6 mm -114.31 141.96 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -176.02 136.65 0.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.546 ' OE1' ' CE3' ' A' ' 102' ' ' TRP . 66.9 mt-10 -48.29 164.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.523 ' HG3' HD21 ' A' ' 17' ' ' LEU . 5.0 pt-20 -123.08 167.91 13.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.526 ' O ' HD23 ' A' ' 17' ' ' LEU . 4.3 mt-10 -86.31 133.41 33.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.6 OUTLIER -138.25 153.24 49.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 m -134.91 117.32 15.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.695 HD12 ' O ' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -102.54 158.85 15.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.9 m -125.12 118.3 25.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.404 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.887 HG21 HD22 ' A' ' 28' ' ' LEU . 6.9 mt -108.35 153.3 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HA ' HD23 ' A' ' 22' ' ' LEU . 6.7 mt -116.17 140.86 48.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.137 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 15.3 ttt180 -97.35 145.38 26.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -140.79 -63.42 0.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -153.24 130.55 11.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.377 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.8 -69.02 2.74 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.14 -161.04 32.19 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.887 HD22 HG21 ' A' ' 21' ' ' ILE . 16.6 mt -71.38 -159.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 0.776 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -152.59 65.99 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.549 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -146.71 162.93 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.456 0.739 . . . . 0.0 109.306 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.423 ' HB2' ' N ' ' A' ' 52' ' ' ARG . 12.2 m -120.64 136.33 54.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.825 HD13 HD11 ' A' ' 90' ' ' LEU . 27.7 pt -114.67 154.5 16.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.68 153.27 34.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 99.21 -149.48 19.02 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.91 142.34 10.6 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -48.1 137.47 10.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.76 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.85 -48.74 2.77 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.7 p -76.89 173.26 11.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.763 . . . . 0.0 109.999 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.664 HG23 ' HD2' ' A' ' 40' ' ' PRO . 7.2 m -69.48 145.39 95.37 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.3 Cg_endo -74.99 141.98 27.32 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -81.61 -26.02 35.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 111.026 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -119.04 -170.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.05 99.69 0.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.118 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t0 44.4 42.98 5.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -113.61 92.54 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -77.24 57.76 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.12 169.49 14.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.0 mm -91.18 106.29 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.342 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 7.0 m-85 -112.87 154.69 25.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.528 HG21 HG23 ' A' ' 53' ' ' VAL . 51.2 mm -71.14 126.33 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.31 -24.43 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.423 ' N ' ' HB2' ' A' ' 31' ' ' SER . 5.5 ttm180 -163.85 155.94 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.528 HG23 HG21 ' A' ' 50' ' ' ILE . 3.5 t -133.31 103.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.3 m -46.64 108.61 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -49.66 -54.76 16.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.264 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -98.63 52.41 1.0 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -121.65 179.54 16.23 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.481 1.113 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -31.26 6.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.892 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -61.26 -56.04 25.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.93 -40.3 1.36 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -69.28 -47.89 63.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.695 ' O ' HD12 ' A' ' 19' ' ' LEU . . . -49.25 -40.87 35.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.48 31.44 1.99 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.892 HG11 ' HB1' ' A' ' 59' ' ' ALA . 10.0 p -82.08 148.57 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.774 . . . . 0.0 109.288 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -132.42 141.58 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.404 HG23 ' HB ' ' A' ' 53' ' ' VAL . 49.7 t -62.58 137.88 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.29 7.82 63.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.83 128.11 33.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 0.742 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 22.8 tttm -89.91 101.23 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.999 HD21 HG23 ' A' ' 73' ' ' VAL . 3.9 tt -59.29 147.55 35.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.929 HD11 ' HB2' ' A' ' 102' ' ' TRP . 9.4 mt -129.52 -41.57 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 1.4 mt-10 -136.05 157.47 46.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.17 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.999 HG23 HD21 ' A' ' 70' ' ' LEU . 1.8 t -147.79 98.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 73' ' ' VAL . 0.6 OUTLIER 76.27 10.36 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.69 -25.22 11.19 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.989 HG12 ' O ' ' A' ' 73' ' ' VAL . 7.8 p -67.49 134.82 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 0.734 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.14 122.72 28.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 86' ' ' ALA . 29.2 mt -116.32 37.73 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.77 105.51 7.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 61.83 31.96 80.14 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.86 157.66 21.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.518 0.776 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.3 168.03 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -54.65 -59.91 4.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.542 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 10.9 p80 -46.21 -53.25 10.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.542 ' HG2' ' CE1' ' A' ' 84' ' ' HIS . 3.2 mt-10 -44.74 -46.45 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 78' ' ' LEU . . . -64.48 -61.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.466 ' HA ' HD12 ' A' ' 90' ' ' LEU . 46.6 t -42.6 -60.31 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.91 -49.82 5.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.506 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -64.83 -38.36 90.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.825 HD11 HD13 ' A' ' 32' ' ' ILE . 12.5 mt -64.76 -60.99 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -57.72 -26.5 61.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.09 93.27 1.66 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -176.82 144.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 0.721 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -85.37 -164.69 39.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.459 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 1.4 m -41.96 -71.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.41 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.405 ' HA ' HD23 ' A' ' 22' ' ' LEU . . . -74.72 115.06 13.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 93' ' ' ALA . 75.4 t -112.91 118.59 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.63 139.05 39.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.911 ' HG2' HG22 ' A' ' 73' ' ' VAL . 49.0 mtm -144.25 123.07 12.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -88.74 103.68 16.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.285 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -101.67 150.65 5.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.929 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.0 t90 -106.02 124.14 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.475 ' HB3' ' CD1' ' A' ' 17' ' ' LEU . 50.6 ttp85 -156.69 155.72 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 103' ' ' ARG . 8.2 tp10 -85.95 141.79 29.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 41.2 t -97.53 103.89 15.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -128.21 167.26 20.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.83 40.86 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.526 1.803 . . . . 0.0 110.962 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.48 96.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 50.2 98.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -133.32 153.01 51.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 0.783 . . . . 0.0 109.99 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.43 152.07 29.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.38 100.87 0.17 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.562 1.164 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.08 169.36 18.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -161.1 159.75 29.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.81 89.73 1.56 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.68 151.24 67.81 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 126.4 9.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.02 97.31 5.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.65 157.51 33.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.0 mt -123.53 135.46 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -176.89 134.37 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.531 ' HB2' ' CE2' ' A' ' 102' ' ' TRP . 5.6 mt-10 -44.89 165.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.631 ' HG3' HD21 ' A' ' 17' ' ' LEU . 6.6 pt-20 -120.86 163.04 18.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.637 ' O ' HD23 ' A' ' 17' ' ' LEU . 1.1 mt-10 -82.07 139.61 34.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -139.52 161.91 36.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.9 m -133.75 122.18 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.435 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.7 mt -117.59 149.26 40.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.1 m -123.91 122.76 38.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.665 HD13 HD13 ' A' ' 28' ' ' LEU . 8.6 mt -106.59 152.61 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 22' ' ' LEU . 4.0 mt -104.94 134.73 47.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 7.9 ttt180 -94.22 157.15 16.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' THR . 3.0 mt-30 -166.17 99.32 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 25' ' ' THR . 9.7 t 37.61 47.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.05 152.46 6.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.143 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.45 -143.57 0.01 OUTLIER Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.665 HD13 HD13 ' A' ' 21' ' ' ILE . 5.7 mt -102.86 -177.44 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.44 62.66 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.619 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -145.35 154.15 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 109.281 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -112.05 133.74 54.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.996 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.42 HD13 ' CD1' ' A' ' 90' ' ' LEU . 18.0 pt -109.81 159.32 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -158.57 149.9 20.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 116.3 -125.36 6.58 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.67 129.79 0.16 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -40.24 149.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.77 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.74 -61.22 4.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.7 m -69.7 175.47 4.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 0.717 . . . . 0.0 110.014 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 6.2 m -72.21 134.69 82.62 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.393 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 39' ' ' THR . 18.2 Cg_endo -75.01 136.81 20.87 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -56.42 -34.99 67.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -105.42 -171.41 1.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -41.81 -89.55 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -126.26 55.33 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -111.53 101.14 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -77.87 57.39 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -129.93 167.5 21.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 12.0 mm -91.71 108.11 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.488 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 10.5 m-85 -112.61 154.95 25.24 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 111.005 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.573 HD11 ' OD2' ' A' ' 68' ' ' ASP . 35.5 mm -68.32 137.35 24.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 t -104.51 -40.28 6.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.006 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -153.34 143.54 22.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG22 HG22 ' A' ' 30' ' ' ILE . 12.5 t -128.51 99.32 4.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.7 m -63.74 107.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -45.76 -44.85 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.2 59.38 5.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -143.97 179.38 21.36 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -33.66 4.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.709 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -64.03 -59.86 3.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' ALA . . . -40.08 -40.17 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -51.79 60.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.82 -29.74 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 106.22 27.48 5.58 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.709 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.9 p -68.32 151.78 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.53 0.782 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.5 mtt85 -140.06 131.06 26.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.6 t -50.95 147.07 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 92.87 -18.05 56.66 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.573 ' OD2' HD11 ' A' ' 50' ' ' ILE . 0.0 OUTLIER -49.28 129.26 18.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.488 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 38.3 tttm -95.16 90.49 5.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.524 HD21 ' SD ' ' A' ' 99' ' ' MET . 0.0 OUTLIER -48.99 133.2 18.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.815 HD11 ' HB2' ' A' ' 102' ' ' TRP . 28.6 mt -113.87 -36.55 4.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -155.2 147.51 23.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.24 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.986 ' O ' HG12 ' A' ' 76' ' ' VAL . 71.4 t -134.96 114.96 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.48 ' ND2' ' CB ' ' A' ' 93' ' ' ALA . 0.5 OUTLIER 76.09 3.96 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.298 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.91 -21.69 15.57 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.539 1.15 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.986 HG12 ' O ' ' A' ' 73' ' ' VAL . 10.8 p -73.82 130.96 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.09 118.74 19.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.457 HD12 HG23 ' A' ' 73' ' ' VAL . 55.8 mt -102.91 35.0 2.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -91.57 80.58 5.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.08 -33.01 4.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.686 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -48.28 142.05 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 36.9 mt-10 -70.83 176.39 4.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -51.63 -62.29 1.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 82' ' ' GLU . 9.1 p80 -42.04 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.686 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 6.2 mt-10 -46.51 -45.85 18.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.44 -61.62 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 52.1 t -42.13 -55.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 92' ' ' GLY . 0.0 OUTLIER -43.95 -51.25 7.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.459 ' CB ' HG11 ' A' ' 76' ' ' VAL . . . -63.91 -38.71 92.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' ' 32' ' ' ILE . 27.2 mt -63.0 -52.56 62.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.1 ptt180 -70.06 -26.68 64.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 88' ' ' GLU . . . -89.85 67.86 2.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.855 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -156.56 151.3 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 97' ' ' VAL . . . -97.27 -161.23 31.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.443 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 81.0 p -38.47 -81.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 0.774 . . . . 0.0 110.427 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.414 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -73.09 116.38 13.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.855 HG22 ' HB1' ' A' ' 93' ' ' ALA . 76.2 t -112.1 116.28 52.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -88.6 127.91 35.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.588 ' CE ' ' CD1' ' A' ' 28' ' ' LEU . 2.5 mtt -131.8 118.63 20.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 5.2 ttp180 -88.42 105.18 17.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.526 HG12 ' OD1' ' A' ' 68' ' ' ASP . 35.2 m -101.75 153.77 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.815 ' HB2' HD11 ' A' ' 71' ' ' LEU . 9.1 t90 -112.02 124.96 53.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.47 ' HB2' HD11 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -155.67 157.44 36.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.426 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 3.1 tm-20 -85.45 142.79 28.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 23.0 t -161.13 105.54 1.33 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.946 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.27 167.51 39.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -52.82 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -117.93 148.17 42.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.971 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.53 -59.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.71 113.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 0.798 . . . . 0.0 110.014 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 p -96.04 167.26 11.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.14 142.49 19.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -156.96 167.7 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -60.73 130.91 48.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.49 -83.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.05 82.46 0.23 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 0.771 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.93 33.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.519 1.799 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -142.96 163.51 32.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -100.21 138.54 37.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -113.99 127.73 71.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -171.53 135.9 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.278 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.647 ' HB2' ' CH2' ' A' ' 102' ' ' TRP . 0.8 OUTLIER -38.26 152.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' CG ' HD21 ' A' ' 17' ' ' LEU . 6.4 pt-20 -118.43 161.9 19.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -82.64 136.7 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.709 HD11 ' HB3' ' A' ' 103' ' ' ARG . 1.5 mt -132.43 163.83 27.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.1 m -134.64 105.34 6.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.5 tp -96.88 159.74 14.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m -134.76 121.31 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.453 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.565 ' CD1' ' HE3' ' A' ' 99' ' ' MET . 9.3 mt -110.84 151.5 13.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 22' ' ' LEU . 3.0 mt -102.53 141.36 35.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' CB ' ' HA ' ' A' ' 95' ' ' THR . 11.5 ttt-85 -82.26 98.24 8.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -109.05 -177.57 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 53.5 p -55.49 98.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.387 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.87 40.2 1.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 42.15 -126.13 4.09 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -93.62 -168.18 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -151.92 56.05 0.45 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.609 HG23 ' CB ' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -144.04 159.29 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 m -118.86 151.96 37.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.728 HG21 HD11 ' A' ' 90' ' ' LEU . 34.0 pt -119.53 162.29 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.456 ' HB2' ' HB2' ' A' ' 51' ' ' SER . . . -162.56 133.63 4.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.3 -116.4 1.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 58.69 156.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -59.13 148.34 31.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 0.799 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 82.85 -60.58 4.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.03 170.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 109.983 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.49 HG23 ' HD2' ' A' ' 40' ' ' PRO . 1.0 OUTLIER -70.9 142.0 87.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.49 ' HD2' HG23 ' A' ' 39' ' ' THR . 18.4 Cg_endo -74.96 122.69 7.38 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.551 1.816 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -54.18 -32.02 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -105.12 -79.44 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 44' ' ' ASP . . . 178.3 113.24 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 43' ' ' GLY . 3.0 t70 76.06 -58.97 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.03 100.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -81.28 56.16 2.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.44 164.18 15.6 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.547 1.154 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.7 mm -92.42 109.32 21.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.794 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 69' ' ' LYS . 5.6 m-85 -114.48 156.95 23.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.509 HG21 HG23 ' A' ' 53' ' ' VAL . 34.1 mm -69.0 125.41 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' ALA . 0.3 OUTLIER -91.48 -36.78 13.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.73 153.0 25.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.597 HG22 HG22 ' A' ' 30' ' ' ILE . 5.0 t -131.13 100.19 4.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.5 m -49.08 111.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -49.84 -54.63 18.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -90.97 53.58 2.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -127.35 -177.66 14.97 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -39.39 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.525 1.803 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.899 ' HB1' HG11 ' A' ' 64' ' ' VAL . . . -58.23 -57.59 12.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.02 -41.04 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -47.99 67.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' ALA . . . -50.12 -37.09 32.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.66 24.68 5.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.899 HG11 ' HB1' ' A' ' 59' ' ' ALA . 9.0 p -72.39 156.94 6.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.744 . . . . 0.0 109.357 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.8 mtt85 -139.2 137.4 35.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' HA ' ' CG2' ' A' ' 50' ' ' ILE . 69.6 t -58.44 147.92 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.61 -24.26 28.66 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.61 131.36 14.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 0.766 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 45.0 tttm -91.87 98.65 11.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.076 HD22 HG12 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -58.26 130.54 47.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' A' ' 102' ' ' TRP . 6.1 mt -112.11 -39.88 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -143.99 160.42 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.029 ' O ' HG12 ' A' ' 76' ' ' VAL . 2.6 t -150.98 101.25 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.28 10.71 5.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 112.41 -21.76 18.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 1.029 HG12 ' O ' ' A' ' 73' ' ' VAL . 9.9 p -69.71 137.77 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.263 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -84.83 122.17 28.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 mt -112.77 43.02 1.74 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.08 72.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.67 -27.6 4.89 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.621 ' HB1' ' CB ' ' A' ' 85' ' ' GLU . . . -46.49 142.78 2.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 0.723 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' HB2' ' CD2' ' A' ' 84' ' ' HIS . 38.5 mt-10 -72.29 171.22 12.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.301 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -48.51 -56.58 7.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.644 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.518 ' CE1' ' HG2' ' A' ' 85' ' ' GLU . 11.7 p80 -52.48 -53.74 41.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.592 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.621 ' CB ' ' HB1' ' A' ' 81' ' ' ALA . 3.9 mt-10 -43.78 -50.18 7.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.76 10.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -41.88 -53.57 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -49.37 20.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.823 ' HB1' HG11 ' A' ' 76' ' ' VAL . . . -67.09 -46.4 74.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.728 HD11 HG21 ' A' ' 32' ' ' ILE . 19.6 mt -53.6 -52.24 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -24.56 63.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -91.56 92.16 1.69 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.506 1.129 . . . . 0.0 111.042 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.729 ' HB1' HG22 ' A' ' 97' ' ' VAL . . . -176.02 137.7 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -78.04 -163.3 21.41 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' ARG . 68.4 p -38.83 -80.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 0.762 . . . . 0.0 110.365 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.438 ' N ' ' OG1' ' A' ' 95' ' ' THR . . . -71.7 116.59 12.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.729 HG22 ' HB1' ' A' ' 93' ' ' ALA . 87.1 t -108.87 116.76 52.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -95.15 131.6 41.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.677 ' HG2' HG22 ' A' ' 73' ' ' VAL . 13.2 mtm -133.54 118.02 17.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -88.24 105.42 17.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 1.076 HG12 HD22 ' A' ' 70' ' ' LEU . 33.1 m -101.56 167.16 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.735 ' HB2' HD11 ' A' ' 71' ' ' LEU . 6.8 t90 -120.33 126.19 49.92 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.709 ' HB3' HD11 ' A' ' 17' ' ' LEU . 4.7 ttm-85 -157.04 155.91 31.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 8.5 tt0 -87.97 126.4 35.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.78 89.53 2.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.017 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.57 164.6 34.65 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 120.84 6.24 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.465 1.771 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -92.68 144.28 25.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.046 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -174.57 169.43 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.996 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.973 . . . . . . . . 0 0 . 1 stop_ save_